N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-phenylphenanthren-9-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine

C142H91N3O3 — CID 159651212

About N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-phenylphenanthren-9-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine

N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-phenylphenanthren-9-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine (PubChem CID 159651212) has the molecular formula C142H91N3O3 and a molecular weight of 1887.31 g/mol. Its IUPAC name is N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-phenylphenanthren-9-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-phenylphenanthren-9-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
• PubChem CID: 159651212
• Molecular Formula: C142H91N3O3
• Molecular Weight: 1887.31 g/mol
• Exact Mass: 1885.71
• IUPAC Name: N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-phenylphenanthren-9-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
• SMILES: c1ccc(-c2cccc(N(c3ccc(-c4cccc5c4oc4c5ccc5ccc6ccccc6c54)cc3)c3cccc4ccccc34)c2)cc1.c1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3oc3c4ccc4ccc5ccccc5c43)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccc(-c3cccc4c3oc3c4ccc4ccc5ccccc5c43)cc2)c2cc3ccccc3c3ccccc23)cc1
• InChI: InChI=1S/2C48H31NO.C46H29NO/c1-2-11-32(12-3-1)37-16-8-17-39(31-37)49(45-22-9-15-33-13-4-6-18-40(33)45)38-28-25-35(26-29-38)42-20-10-21-43-44-30-27-36-24-23-34-14-5-7-19-41(34)46(36)48(44)50-47(42)43;1-2-12-32(13-3-1)38-18-8-9-22-44(38)49(45-23-10-16-33-14-4-6-17-39(33)45)37-29-26-35(27-30-37)41-20-11-21-42-43-31-28-36-25-24-34-15-5-7-19-40(34)46(36)48(43)50-47(41)42;1-2-13-34(14-3-1)47(43-29-33-12-5-6-15-36(33)39-17-8-9-18-40(39)43)35-26-23-31(24-27-35)38-19-10-20-41-42-28-25-32-22-21-30-11-4-7-16-37(30)44(32)46(42)48-45(38)41/h2*1-31H;1-29H
• InChIKey: MRPBDQZLMJFSCP-UHFFFAOYSA-N
• XLogP: 41.03
• TPSA: 49.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1887.31
LogP ≤ 5	41.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-phenylphenanthren-9-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine?

The IUPAC name of N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-phenylphenanthren-9-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine (CID 159651212) is N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-phenylphenanthren-9-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine.

What is the SMILES notation for N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-phenylphenanthren-9-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine?

The canonical SMILES for N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-phenylphenanthren-9-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine is c1ccc(-c2cccc(N(c3ccc(-c4cccc5c4oc4c5ccc5ccc6ccccc6c54)cc3)c3cccc4ccccc34)c2)cc1.c1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3oc3c4ccc4ccc5ccccc5c43)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccc(-c3cccc4c3oc3c4ccc4ccc5ccccc5c43)cc2)c2cc3ccccc3c3ccccc23)cc1.

What is the InChIKey of N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-phenylphenanthren-9-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine?

The InChIKey is MRPBDQZLMJFSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H31NO.C46H29NO/c1-2-11-32(12-3-1)37-16-8-17-39(31-37)49(45-22-9-15-33-13-4-6-18-40(33)45)38-28-25-35(26-29-38)42-20-10-21-43-44-30-27-36-24-23-34-14-5-7-19-41(34)46(36)48(44)50-47(42)43;1-2-12-32(13-3-1)38-18-8-9-22-44(38)49(45-23-10-16-33-14-4-6-17-39(33)45)37-29-26-35(27-30-37)41-20-11-21-42-43-31-28-36-25-24-34-15-5-7-19-40(34)46(36)48(43)50-47(41)42;1-2-13-34(14-3-1)47(43-29-33-12-5-6-15-36(33)39-17-8-9-18-40(39)43)35-26-23-31(24-27-35)38-19-10-20-41-42-28-25-32-22-21-30-11-4-7-16-37(30)44(32)46(42)48-45(38)41/h2*1-31H;1-29H.

What are the key properties of N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-phenylphenanthren-9-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine?

N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-phenylphenanthren-9-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine has a molecular weight of 1887.31 g/mol, XLogP of 41.03, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-phenylphenanthren-9-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 159651212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).