N-dibenzothiophen-3-yl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine

C163H100N6S7 — CID 160885065

About N-dibenzothiophen-3-yl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine

N-dibenzothiophen-3-yl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine (PubChem CID 160885065) has the molecular formula C163H100N6S7 and a molecular weight of 2367.10 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

• Compound Name: N-dibenzothiophen-3-yl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine
• PubChem CID: 160885065
• Molecular Formula: C163H100N6S7
• Molecular Weight: 2367.10 g/mol
• Exact Mass: 2364.61
• IUPAC Name: N-dibenzothiophen-3-yl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4nc5ccccc5c5c4ccc4c6ccccc6sc45)cc3)c3ccc4c(c3)sc3ccccc34)cc21.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5nc6ccccc6c6c5ccc5c7ccccc7sc56)cc4)c4ccc5c(c4)sc4ccccc45)cc32)cc1.c1ccc2c(c1)nc(-c1ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4c(c3)sc3ccccc34)cc1)c1ccc3c4ccccc4sc3c12
• InChI: InChI=1S/C62H38N2S2.C52H34N2S2.C49H28N2S3/c1-3-15-40(16-4-1)62(41-17-5-2-6-18-41)53-23-11-7-19-45(53)46-33-31-43(37-54(46)62)64(44-32-34-49-47-20-9-13-25-56(47)65-58(49)38-44)42-29-27-39(28-30-42)60-52-36-35-50-48-21-10-14-26-57(48)66-61(50)59(52)51-22-8-12-24-55(51)63-60;1-52(2)43-15-7-3-11-35(43)36-25-23-33(29-44(36)52)54(34-24-26-39-37-12-5-9-17-46(37)55-48(39)30-34)32-21-19-31(20-22-32)50-42-28-27-40-38-13-6-10-18-47(38)56-51(40)49(42)41-14-4-8-16-45(41)53-50;1-5-13-41-39(12-1)47-40(26-25-38-35-11-4-8-16-44(35)54-49(38)47)48(50-41)29-17-19-30(20-18-29)51(31-21-23-36-33-9-2-6-14-42(33)52-45(36)27-31)32-22-24-37-34-10-3-7-15-43(34)53-46(37)28-32/h1-38H;3-30H,1-2H3;1-28H
• InChIKey: SNNKBNPHTZMMOP-UHFFFAOYSA-N
• XLogP: 48.82
• TPSA: 48.39 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2367.10
LogP ≤ 5	48.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine?

The IUPAC name of N-dibenzothiophen-3-yl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine (CID 160885065) is N-dibenzothiophen-3-yl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine.

What is the SMILES notation for N-dibenzothiophen-3-yl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine?

The canonical SMILES for N-dibenzothiophen-3-yl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4nc5ccccc5c5c4ccc4c6ccccc6sc45)cc3)c3ccc4c(c3)sc3ccccc34)cc21.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5nc6ccccc6c6c5ccc5c7ccccc7sc56)cc4)c4ccc5c(c4)sc4ccccc45)cc32)cc1.c1ccc2c(c1)nc(-c1ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4c(c3)sc3ccccc34)cc1)c1ccc3c4ccccc4sc3c12.

What is the InChIKey of N-dibenzothiophen-3-yl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine?

The InChIKey is SNNKBNPHTZMMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N2S2.C52H34N2S2.C49H28N2S3/c1-3-15-40(16-4-1)62(41-17-5-2-6-18-41)53-23-11-7-19-45(53)46-33-31-43(37-54(46)62)64(44-32-34-49-47-20-9-13-25-56(47)65-58(49)38-44)42-29-27-39(28-30-42)60-52-36-35-50-48-21-10-14-26-57(48)66-61(50)59(52)51-22-8-12-24-55(51)63-60;1-52(2)43-15-7-3-11-35(43)36-25-23-33(29-44(36)52)54(34-24-26-39-37-12-5-9-17-46(37)55-48(39)30-34)32-21-19-31(20-22-32)50-42-28-27-40-38-13-6-10-18-47(38)56-51(40)49(42)41-14-4-8-16-45(41)53-50;1-5-13-41-39(12-1)47-40(26-25-38-35-11-4-8-16-44(35)54-49(38)47)48(50-41)29-17-19-30(20-18-29)51(31-21-23-36-33-9-2-6-14-42(33)52-45(36)27-31)32-22-24-37-34-10-3-7-15-43(34)53-46(37)28-32/h1-38H;3-30H,1-2H3;1-28H.

What are the key properties of N-dibenzothiophen-3-yl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine?

N-dibenzothiophen-3-yl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine has a molecular weight of 2367.10 g/mol, XLogP of 48.82, 14 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzothiophen-3-yl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 160885065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).