N-(4-fluorophenyl)-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-1-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-2-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenanthren-9-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;4-[N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)anilino]benzonitrile

C288H190FN9S8Si — CID 158841818

About N-(4-fluorophenyl)-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-1-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-2-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenanthren-9-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;4-[N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)anilino]benzonitrile

N-(4-fluorophenyl)-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-1-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-2-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenanthren-9-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;4-[N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)anilino]benzonitrile (PubChem CID 158841818) has the molecular formula C288H190FN9S8Si and a molecular weight of 4080.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-1-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-2-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenanthren-9-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;4-[N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)anilino]benzonitrile.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-1-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-2-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenanthren-9-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;4-[N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)anilino]benzonitrile
• PubChem CID: 158841818
• Molecular Formula: C288H190FN9S8Si
• Molecular Weight: 4080.37 g/mol
• Exact Mass: 4076.27
• IUPAC Name: N-(4-fluorophenyl)-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-1-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-2-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenanthren-9-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;4-[N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)anilino]benzonitrile
• SMILES: C[Si](C)(C)c1ccc(N(c2ccccc2)c2cc3sc4cc5ccccc5cc4c3c3ccccc23)cc1.Fc1ccc(N(c2ccccc2)c2cc3sc4cc5ccccc5cc4c3c3ccccc23)cc1.N#Cc1ccc(N(c2ccccc2)c2cc3sc4cc5ccccc5cc4c3c3ccccc23)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc4sc5cc6ccccc6cc5c4c4ccccc34)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3cc4sc5cc6ccccc6cc5c4c4ccccc34)c2)cc1.c1ccc(N(c2cc3ccccc3c3ccccc23)c2cc3sc4cc5ccccc5cc4c3c3ccccc23)cc1.c1ccc(N(c2ccc3ccccc3c2)c2cc3sc4cc5ccccc5cc4c3c3ccccc23)cc1.c1ccc(N(c2cccc3ccccc23)c2cc3sc4cc5ccccc5cc4c3c3ccccc23)cc1
• InChI: InChI=1S/C40H25NS.2C38H25NS.2C36H23NS.C35H29NSSi.C33H20N2S.C32H20FNS/c1-2-15-29(16-3-1)41(36-23-28-14-6-7-17-30(28)31-18-8-9-19-32(31)36)37-25-39-40(34-21-11-10-20-33(34)37)35-22-26-12-4-5-13-27(26)24-38(35)42-39;1-3-12-26(13-4-1)27-16-11-19-31(22-27)39(30-17-5-2-6-18-30)35-25-37-38(33-21-10-9-20-32(33)35)34-23-28-14-7-8-15-29(28)24-36(34)40-37;1-3-11-26(12-4-1)27-19-21-31(22-20-27)39(30-15-5-2-6-16-30)35-25-37-38(33-18-10-9-17-32(33)35)34-23-28-13-7-8-14-29(28)24-36(34)40-37;1-2-15-27(16-3-1)37(32-20-10-14-24-11-6-7-17-28(24)32)33-23-35-36(30-19-9-8-18-29(30)33)31-21-25-12-4-5-13-26(25)22-34(31)38-35;1-2-14-28(15-3-1)37(29-19-18-24-10-4-5-11-25(24)20-29)33-23-35-36(31-17-9-8-16-30(31)33)32-21-26-12-6-7-13-27(26)22-34(32)38-35;1-38(2,3)28-19-17-27(18-20-28)36(26-13-5-4-6-14-26)32-23-34-35(30-16-10-9-15-29(30)32)31-21-24-11-7-8-12-25(24)22-33(31)37-34;34-21-22-14-16-26(17-15-22)35(25-10-2-1-3-11-25)30-20-32-33(28-13-7-6-12-27(28)30)29-18-23-8-4-5-9-24(23)19-31(29)36-32;33-23-14-16-25(17-15-23)34(24-10-2-1-3-11-24)29-20-31-32(27-13-7-6-12-26(27)29)28-18-21-8-4-5-9-22(21)19-30(28)35-31/h1-25H;2*1-25H;2*1-23H;4-23H,1-3H3;1-20H;1-20H
• InChIKey: IYILYMUCFLHSBT-UHFFFAOYSA-N
• XLogP: 87.15
• TPSA: 49.71 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 27
• Heavy Atoms: 307
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4080.37
LogP ≤ 5	87.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-1-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-2-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenanthren-9-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;4-[N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)anilino]benzonitrile?

The IUPAC name of N-(4-fluorophenyl)-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-1-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-2-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenanthren-9-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;4-[N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)anilino]benzonitrile (CID 158841818) is N-(4-fluorophenyl)-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-1-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-2-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenanthren-9-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;4-[N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)anilino]benzonitrile.

What is the SMILES notation for N-(4-fluorophenyl)-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-1-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-2-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenanthren-9-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;4-[N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)anilino]benzonitrile?

The canonical SMILES for N-(4-fluorophenyl)-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-1-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-2-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenanthren-9-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;4-[N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)anilino]benzonitrile is C[Si](C)(C)c1ccc(N(c2ccccc2)c2cc3sc4cc5ccccc5cc4c3c3ccccc23)cc1.Fc1ccc(N(c2ccccc2)c2cc3sc4cc5ccccc5cc4c3c3ccccc23)cc1.N#Cc1ccc(N(c2ccccc2)c2cc3sc4cc5ccccc5cc4c3c3ccccc23)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc4sc5cc6ccccc6cc5c4c4ccccc34)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3cc4sc5cc6ccccc6cc5c4c4ccccc34)c2)cc1.c1ccc(N(c2cc3ccccc3c3ccccc23)c2cc3sc4cc5ccccc5cc4c3c3ccccc23)cc1.c1ccc(N(c2ccc3ccccc3c2)c2cc3sc4cc5ccccc5cc4c3c3ccccc23)cc1.c1ccc(N(c2cccc3ccccc23)c2cc3sc4cc5ccccc5cc4c3c3ccccc23)cc1.

What is the InChIKey of N-(4-fluorophenyl)-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-1-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-2-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenanthren-9-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;4-[N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)anilino]benzonitrile?

The InChIKey is IYILYMUCFLHSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NS.2C38H25NS.2C36H23NS.C35H29NSSi.C33H20N2S.C32H20FNS/c1-2-15-29(16-3-1)41(36-23-28-14-6-7-17-30(28)31-18-8-9-19-32(31)36)37-25-39-40(34-21-11-10-20-33(34)37)35-22-26-12-4-5-13-27(26)24-38(35)42-39;1-3-12-26(13-4-1)27-16-11-19-31(22-27)39(30-17-5-2-6-18-30)35-25-37-38(33-21-10-9-20-32(33)35)34-23-28-14-7-8-15-29(28)24-36(34)40-37;1-3-11-26(12-4-1)27-19-21-31(22-20-27)39(30-15-5-2-6-16-30)35-25-37-38(33-18-10-9-17-32(33)35)34-23-28-13-7-8-14-29(28)24-36(34)40-37;1-2-15-27(16-3-1)37(32-20-10-14-24-11-6-7-17-28(24)32)33-23-35-36(30-19-9-8-18-29(30)33)31-21-25-12-4-5-13-26(25)22-34(31)38-35;1-2-14-28(15-3-1)37(29-19-18-24-10-4-5-11-25(24)20-29)33-23-35-36(31-17-9-8-16-30(31)33)32-21-26-12-6-7-13-27(26)22-34(32)38-35;1-38(2,3)28-19-17-27(18-20-28)36(26-13-5-4-6-14-26)32-23-34-35(30-16-10-9-15-29(30)32)31-21-24-11-7-8-12-25(24)22-33(31)37-34;34-21-22-14-16-26(17-15-22)35(25-10-2-1-3-11-25)30-20-32-33(28-13-7-6-12-27(28)30)29-18-23-8-4-5-9-24(23)19-31(29)36-32;33-23-14-16-25(17-15-23)34(24-10-2-1-3-11-24)29-20-31-32(27-13-7-6-12-26(27)29)28-18-21-8-4-5-9-22(21)19-30(28)35-31/h1-25H;2*1-25H;2*1-23H;4-23H,1-3H3;1-20H;1-20H.

What are the key properties of N-(4-fluorophenyl)-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-1-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-2-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenanthren-9-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;4-[N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)anilino]benzonitrile?

N-(4-fluorophenyl)-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-1-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-2-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenanthren-9-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;4-[N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)anilino]benzonitrile has a molecular weight of 4080.37 g/mol, XLogP of 87.15, 27 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-1-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-naphthalen-2-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenanthren-9-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;N-phenyl-N-(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine;4-[N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)anilino]benzonitrile is sourced from PubChem (CID 158841818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).