15-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4,6-diphenylpyrimidin-2-yl)-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene

C109H69N7 — CID 157104357

About 15-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4,6-diphenylpyrimidin-2-yl)-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene

15-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4,6-diphenylpyrimidin-2-yl)-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene (PubChem CID 157104357) has the molecular formula C109H69N7 and a molecular weight of 1476.80 g/mol. Its IUPAC name is 15-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4,6-diphenylpyrimidin-2-yl)-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene.

Molecular Properties

• Compound Name: 15-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4,6-diphenylpyrimidin-2-yl)-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
• PubChem CID: 157104357
• Molecular Formula: C109H69N7
• Molecular Weight: 1476.80 g/mol
• Exact Mass: 1475.56
• IUPAC Name: 15-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4,6-diphenylpyrimidin-2-yl)-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cccc5ccc6c(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc3c6c54)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5cccc6ccc7c(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc4c7c65)c3)cc2)cc1
• InChI: InChI=1S/C61H39N3.C48H30N4/c1-4-13-40(14-5-1)42-23-25-44(26-24-42)48-38-54(45-29-27-43(28-30-45)41-15-6-2-7-16-41)62-59(39-48)64-57-22-12-17-46-31-33-52-50(34-36-58(64)61(52)60(46)57)47-32-35-56-53(37-47)51-20-10-11-21-55(51)63(56)49-18-8-3-9-19-49;1-4-13-31(14-5-1)40-30-41(32-15-6-2-7-16-32)50-48(49-40)52-44-22-12-17-33-23-25-38-36(26-28-45(52)47(38)46(33)44)34-24-27-43-39(29-34)37-20-10-11-21-42(37)51(43)35-18-8-3-9-19-35/h1-39H;1-30H
• InChIKey: AGDBDQMKJKVLQE-UHFFFAOYSA-N
• XLogP: 28.46
• TPSA: 58.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1476.80
LogP ≤ 5	28.46
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 15-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4,6-diphenylpyrimidin-2-yl)-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?

The IUPAC name of 15-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4,6-diphenylpyrimidin-2-yl)-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene (CID 157104357) is 15-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4,6-diphenylpyrimidin-2-yl)-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene.

What is the SMILES notation for 15-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4,6-diphenylpyrimidin-2-yl)-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?

The canonical SMILES for 15-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4,6-diphenylpyrimidin-2-yl)-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cccc5ccc6c(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc3c6c54)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5cccc6ccc7c(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc4c7c65)c3)cc2)cc1.

What is the InChIKey of 15-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4,6-diphenylpyrimidin-2-yl)-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?

The InChIKey is AGDBDQMKJKVLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N3.C48H30N4/c1-4-13-40(14-5-1)42-23-25-44(26-24-42)48-38-54(45-29-27-43(28-30-45)41-15-6-2-7-16-41)62-59(39-48)64-57-22-12-17-46-31-33-52-50(34-36-58(64)61(52)60(46)57)47-32-35-56-53(37-47)51-20-10-11-21-55(51)63(56)49-18-8-3-9-19-49;1-4-13-31(14-5-1)40-30-41(32-15-6-2-7-16-32)50-48(49-40)52-44-22-12-17-33-23-25-38-36(26-28-45(52)47(38)46(33)44)34-24-27-43-39(29-34)37-20-10-11-21-42(37)51(43)35-18-8-3-9-19-35/h1-39H;1-30H.

What are the key properties of 15-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4,6-diphenylpyrimidin-2-yl)-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?

15-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4,6-diphenylpyrimidin-2-yl)-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene has a molecular weight of 1476.80 g/mol, XLogP of 28.46, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4,6-diphenylpyrimidin-2-yl)-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene is sourced from PubChem (CID 157104357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).