N-phenanthren-2-yl-N-[4-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-[4-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine

C213H140N6S — CID 161243303

About N-phenanthren-2-yl-N-[4-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-[4-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine

N-phenanthren-2-yl-N-[4-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-[4-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine (PubChem CID 161243303) has the molecular formula C213H140N6S and a molecular weight of 2815.57 g/mol. Its IUPAC name is N-phenanthren-2-yl-N-[4-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-[4-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-phenanthren-2-yl-N-[4-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-[4-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine
• PubChem CID: 161243303
• Molecular Formula: C213H140N6S
• Molecular Weight: 2815.57 g/mol
• Exact Mass: 2813.09
• IUPAC Name: N-phenanthren-2-yl-N-[4-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-[4-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine
• SMILES: c1ccc(-c2c3c4ccccc4c4ccc(-c5ccc(-c6cccc(-c7ccc(N(c8ccc9c(ccc%10ccccc%109)c8)c8ccc9sc%10ccccc%10c9c8)cc7)c6)cc5)cc4c3n3ccccc23)cc1.c1ccc(-c2c3c4ccccc4c4ccc(-c5ccc(-c6cccc(N(c7ccccc7)c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)c6)cc5)cc4c3n3ccccc23)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc(-c6ccc7c8ccccc8c8c(-c9ccccc9)c9ccccn9c8c7c6)cc5)cc4)cc3)c3ccc(-c4ccccc4-c4ccccc4)cc3)cc2)cc1
• InChI: InChI=1S/C74H50N2.C70H44N2S.C69H46N2/c1-4-16-51(17-5-1)55-35-42-62(43-36-55)76(64-46-39-59(40-47-64)66-23-11-10-22-65(66)58-18-6-2-7-19-58)63-44-37-56(38-45-63)54-29-27-52(28-30-54)53-31-33-57(34-32-53)61-41-48-68-67-24-12-13-25-69(67)73-72(60-20-8-3-9-21-60)71-26-14-15-49-75(71)74(73)70(68)50-61;1-2-14-49(15-3-1)68-65-22-10-11-40-71(65)70-64-43-52(32-37-60(64)59-19-6-7-21-62(59)69(68)70)46-26-24-45(25-27-46)50-16-12-17-51(41-50)47-30-33-54(34-31-47)72(56-36-39-67-63(44-56)61-20-8-9-23-66(61)73-67)55-35-38-58-53(42-55)29-28-48-13-4-5-18-57(48)58;1-5-20-49(21-6-1)66-65-34-17-18-43-70(65)68-62-45-51(39-41-58(62)57-30-13-14-32-61(57)67(66)68)48-37-35-47(36-38-48)50-22-19-29-55(44-50)71(54-27-11-4-12-28-54)56-40-42-60-59-31-15-16-33-63(59)69(64(60)46-56,52-23-7-2-8-24-52)53-25-9-3-10-26-53/h1-50H;1-44H;1-46H
• InChIKey: VAHILHRLRFBHMK-UHFFFAOYSA-N
• XLogP: 58.98
• TPSA: 22.95 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 25
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2815.57
LogP ≤ 5	58.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-2-yl-N-[4-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-[4-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine?

The IUPAC name of N-phenanthren-2-yl-N-[4-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-[4-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine (CID 161243303) is N-phenanthren-2-yl-N-[4-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-[4-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine.

What is the SMILES notation for N-phenanthren-2-yl-N-[4-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-[4-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine?

The canonical SMILES for N-phenanthren-2-yl-N-[4-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-[4-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine is c1ccc(-c2c3c4ccccc4c4ccc(-c5ccc(-c6cccc(-c7ccc(N(c8ccc9c(ccc%10ccccc%109)c8)c8ccc9sc%10ccccc%10c9c8)cc7)c6)cc5)cc4c3n3ccccc23)cc1.c1ccc(-c2c3c4ccccc4c4ccc(-c5ccc(-c6cccc(N(c7ccccc7)c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)c6)cc5)cc4c3n3ccccc23)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc(-c6ccc7c8ccccc8c8c(-c9ccccc9)c9ccccn9c8c7c6)cc5)cc4)cc3)c3ccc(-c4ccccc4-c4ccccc4)cc3)cc2)cc1.

What is the InChIKey of N-phenanthren-2-yl-N-[4-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-[4-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine?

The InChIKey is VAHILHRLRFBHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H50N2.C70H44N2S.C69H46N2/c1-4-16-51(17-5-1)55-35-42-62(43-36-55)76(64-46-39-59(40-47-64)66-23-11-10-22-65(66)58-18-6-2-7-19-58)63-44-37-56(38-45-63)54-29-27-52(28-30-54)53-31-33-57(34-32-53)61-41-48-68-67-24-12-13-25-69(67)73-72(60-20-8-3-9-21-60)71-26-14-15-49-75(71)74(73)70(68)50-61;1-2-14-49(15-3-1)68-65-22-10-11-40-71(65)70-64-43-52(32-37-60(64)59-19-6-7-21-62(59)69(68)70)46-26-24-45(25-27-46)50-16-12-17-51(41-50)47-30-33-54(34-31-47)72(56-36-39-67-63(44-56)61-20-8-9-23-66(61)73-67)55-35-38-58-53(42-55)29-28-48-13-4-5-18-57(48)58;1-5-20-49(21-6-1)66-65-34-17-18-43-70(65)68-62-45-51(39-41-58(62)57-30-13-14-32-61(57)67(66)68)48-37-35-47(36-38-48)50-22-19-29-55(44-50)71(54-27-11-4-12-28-54)56-40-42-60-59-31-15-16-33-63(59)69(64(60)46-56,52-23-7-2-8-24-52)53-25-9-3-10-26-53/h1-50H;1-44H;1-46H.

What are the key properties of N-phenanthren-2-yl-N-[4-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-[4-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine?

N-phenanthren-2-yl-N-[4-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-[4-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 2815.57 g/mol, XLogP of 58.98, 25 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenanthren-2-yl-N-[4-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-[4-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 161243303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).