15-(4,6-diphenylpyrimidin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4-phenylquinazolin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene

C110H66N12 — CID 160706479

About 15-(4,6-diphenylpyrimidin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4-phenylquinazolin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-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-(4-phenylquinazolin-2-yl)carbazol-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4-phenylquinazolin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene (PubChem CID 160706479) has the molecular formula C110H66N12 and a molecular weight of 1555.82 g/mol. Its IUPAC name is 15-(4,6-diphenylpyrimidin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4-phenylquinazolin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-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-diphenylpyrimidin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4-phenylquinazolin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
• PubChem CID: 160706479
• Molecular Formula: C110H66N12
• Molecular Weight: 1555.82 g/mol
• Exact Mass: 1554.55
• IUPAC Name: 15-(4,6-diphenylpyrimidin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4-phenylquinazolin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-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(-c7ccc8c9ccccc9n(-c9nc(-c%10ccccc%10)c%10ccccc%10n9)c8c7)ccc3c6c54)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc(-c5ccc6c7c5ccc5cccc(c57)n6-c5nc(-c6ccccc6)c6ccccc6n5)cc43)nc3ccccc23)cc1
• InChI: InChI=1S/C56H34N6.C54H32N6/c1-4-15-35(16-5-1)46-34-47(36-17-6-2-7-18-36)59-55(58-46)62-49-26-14-21-37-27-30-43-40(31-32-50(62)53(43)52(37)49)39-28-29-42-41-22-11-13-25-48(41)61(51(42)33-39)56-57-45-24-12-10-23-44(45)54(60-56)38-19-8-3-9-20-38;1-3-14-34(15-4-1)51-41-20-7-10-22-43(41)55-53(57-51)59-45-24-12-9-19-38(45)39-28-27-36(32-48(39)59)37-30-31-47-50-40(37)29-26-33-18-13-25-46(49(33)50)60(47)54-56-44-23-11-8-21-42(44)52(58-54)35-16-5-2-6-17-35/h1-34H;1-32H
• InChIKey: RRHHBXCPUWBBHZ-UHFFFAOYSA-N
• XLogP: 27.23
• TPSA: 122.84 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1555.82
LogP ≤ 5	27.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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-diphenylpyrimidin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4-phenylquinazolin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-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-diphenylpyrimidin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4-phenylquinazolin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene (CID 160706479) is 15-(4,6-diphenylpyrimidin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4-phenylquinazolin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-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-diphenylpyrimidin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4-phenylquinazolin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-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-diphenylpyrimidin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4-phenylquinazolin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-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(-c7ccc8c9ccccc9n(-c9nc(-c%10ccccc%10)c%10ccccc%10n9)c8c7)ccc3c6c54)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc(-c5ccc6c7c5ccc5cccc(c57)n6-c5nc(-c6ccccc6)c6ccccc6n5)cc43)nc3ccccc23)cc1.

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

The InChIKey is RRHHBXCPUWBBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N6.C54H32N6/c1-4-15-35(16-5-1)46-34-47(36-17-6-2-7-18-36)59-55(58-46)62-49-26-14-21-37-27-30-43-40(31-32-50(62)53(43)52(37)49)39-28-29-42-41-22-11-13-25-48(41)61(51(42)33-39)56-57-45-24-12-10-23-44(45)54(60-56)38-19-8-3-9-20-38;1-3-14-34(15-4-1)51-41-20-7-10-22-43(41)55-53(57-51)59-45-24-12-9-19-38(45)39-28-27-36(32-48(39)59)37-30-31-47-50-40(37)29-26-33-18-13-25-46(49(33)50)60(47)54-56-44-23-11-8-21-42(44)52(58-54)35-16-5-2-6-17-35/h1-34H;1-32H.

What are the key properties of 15-(4,6-diphenylpyrimidin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4-phenylquinazolin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-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-(4-phenylquinazolin-2-yl)carbazol-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4-phenylquinazolin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-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 1555.82 g/mol, XLogP of 27.23, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(4,6-diphenylpyrimidin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4-phenylquinazolin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-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 160706479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).