7-N,19-N-diphenyl-7-N,19-N-bis(9-phenylcarbazol-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole;12-[4-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C154H98N6O2 — CID 163860716

About 7-N,19-N-diphenyl-7-N,19-N-bis(9-phenylcarbazol-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole;12-[4-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

7-N,19-N-diphenyl-7-N,19-N-bis(9-phenylcarbazol-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole;12-[4-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 163860716) has the molecular formula C154H98N6O2 and a molecular weight of 2064.52 g/mol. Its IUPAC name is 7-N,19-N-diphenyl-7-N,19-N-bis(9-phenylcarbazol-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole;12-[4-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 7-N,19-N-diphenyl-7-N,19-N-bis(9-phenylcarbazol-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole;12-[4-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• PubChem CID: 163860716
• Molecular Formula: C154H98N6O2
• Molecular Weight: 2064.52 g/mol
• Exact Mass: 2062.78
• IUPAC Name: 7-N,19-N-diphenyl-7-N,19-N-bis(9-phenylcarbazol-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole;12-[4-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)cc3)c3ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)ccc32)cc1.c1ccc(N(c2ccc3c(c2)oc2cc4cc5c(cc4cc23)oc2cc(N(c3ccccc3)c3ccc4c6ccccc6n(-c6ccccc6)c4c3)ccc25)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
• InChI: InChI=1S/C70H44N4O2.C46H29N.C38H25N/c1-5-17-47(18-6-1)71(51-29-33-57-55-25-13-15-27-63(55)73(65(57)41-51)49-21-9-3-10-22-49)53-31-35-59-61-37-45-40-68-62(38-46(45)39-67(61)75-69(59)43-53)60-36-32-54(44-70(60)76-68)72(48-19-7-2-8-20-48)52-30-34-58-56-26-14-16-28-64(56)74(66(58)42-52)50-23-11-4-12-24-50;1-2-14-32(15-3-1)43-37-18-8-10-20-39(37)44(40-21-11-9-19-38(40)43)33-22-26-34(27-23-33)47-41-28-24-30-12-4-6-16-35(30)45(41)46-36-17-7-5-13-31(36)25-29-42(46)47;1-2-11-30(12-3-1)39-37-17-9-8-16-34(37)36-24-28(22-23-38(36)39)26-18-20-27(21-19-26)35-25-29-10-4-5-13-31(29)32-14-6-7-15-33(32)35/h1-44H;1-29H;1-25H
• InChIKey: PCGZPRQIPQVCAP-UHFFFAOYSA-N
• XLogP: 42.93
• TPSA: 52.48 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2064.52
LogP ≤ 5	42.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-N,19-N-diphenyl-7-N,19-N-bis(9-phenylcarbazol-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole;12-[4-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The IUPAC name of 7-N,19-N-diphenyl-7-N,19-N-bis(9-phenylcarbazol-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole;12-[4-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 163860716) is 7-N,19-N-diphenyl-7-N,19-N-bis(9-phenylcarbazol-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole;12-[4-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

What is the SMILES notation for 7-N,19-N-diphenyl-7-N,19-N-bis(9-phenylcarbazol-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole;12-[4-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The canonical SMILES for 7-N,19-N-diphenyl-7-N,19-N-bis(9-phenylcarbazol-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole;12-[4-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)cc3)c3ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)ccc32)cc1.c1ccc(N(c2ccc3c(c2)oc2cc4cc5c(cc4cc23)oc2cc(N(c3ccccc3)c3ccc4c6ccccc6n(-c6ccccc6)c4c3)ccc25)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.

What is the InChIKey of 7-N,19-N-diphenyl-7-N,19-N-bis(9-phenylcarbazol-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole;12-[4-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The InChIKey is PCGZPRQIPQVCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N4O2.C46H29N.C38H25N/c1-5-17-47(18-6-1)71(51-29-33-57-55-25-13-15-27-63(55)73(65(57)41-51)49-21-9-3-10-22-49)53-31-35-59-61-37-45-40-68-62(38-46(45)39-67(61)75-69(59)43-53)60-36-32-54(44-70(60)76-68)72(48-19-7-2-8-20-48)52-30-34-58-56-26-14-16-28-64(56)74(66(58)42-52)50-23-11-4-12-24-50;1-2-14-32(15-3-1)43-37-18-8-10-20-39(37)44(40-21-11-9-19-38(40)43)33-22-26-34(27-23-33)47-41-28-24-30-12-4-6-16-35(30)45(41)46-36-17-7-5-13-31(36)25-29-42(46)47;1-2-11-30(12-3-1)39-37-17-9-8-16-34(37)36-24-28(22-23-38(36)39)26-18-20-27(21-19-26)35-25-29-10-4-5-13-31(29)32-14-6-7-15-33(32)35/h1-44H;1-29H;1-25H.

What are the key properties of 7-N,19-N-diphenyl-7-N,19-N-bis(9-phenylcarbazol-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole;12-[4-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

7-N,19-N-diphenyl-7-N,19-N-bis(9-phenylcarbazol-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole;12-[4-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 2064.52 g/mol, XLogP of 42.93, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N,19-N-diphenyl-7-N,19-N-bis(9-phenylcarbazol-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole;12-[4-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 163860716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).