5-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]-5-[9-(2,6-diphenyl-4-pyridinyl)-7-[9-(5-pyrido[3,2-b]indol-5-yl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]phenyl]pyrido[3,2-b]indole

C115H71N11 — CID 129253533

About 5-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]-5-[9-(2,6-diphenyl-4-pyridinyl)-7-[9-(5-pyrido[3,2-b]indol-5-yl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]phenyl]pyrido[3,2-b]indole

5-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]-5-[9-(2,6-diphenyl-4-pyridinyl)-7-[9-(5-pyrido[3,2-b]indol-5-yl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]phenyl]pyrido[3,2-b]indole (PubChem CID 129253533) has the molecular formula C115H71N11 and a molecular weight of 1606.91 g/mol. Its IUPAC name is 5-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]-5-[9-(2,6-diphenyl-4-pyridinyl)-7-[9-(5-pyrido[3,2-b]indol-5-yl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]phenyl]pyrido[3,2-b]indole.

Molecular Properties

• Compound Name: 5-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]-5-[9-(2,6-diphenyl-4-pyridinyl)-7-[9-(5-pyrido[3,2-b]indol-5-yl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]phenyl]pyrido[3,2-b]indole
• PubChem CID: 129253533
• Molecular Formula: C115H71N11
• Molecular Weight: 1606.91 g/mol
• Exact Mass: 1605.59
• IUPAC Name: 5-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]-5-[9-(2,6-diphenyl-4-pyridinyl)-7-[9-(5-pyrido[3,2-b]indol-5-yl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]phenyl]pyrido[3,2-b]indole
• SMILES: c1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccc7c(c6)c6ccc(-c8ccc9c(c8)c8ccccc8n9-c8cncc(-n9c%10ccccc%10c%10ncccc%109)c8)cc6n7-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)cc(-n6c7ccccc7c7ncccc76)c5)cc43)cc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C115H71N11/c1-5-25-72(26-6-1)98-66-84(67-99(119-98)73-27-7-2-8-28-73)123-102-38-18-13-33-88(102)91-50-45-79(62-112(91)123)76-47-52-107-95(59-76)89-34-14-19-39-103(89)121(107)82-57-81(58-83(64-82)122-105-41-21-16-36-93(105)114-110(122)43-23-55-117-114)78-49-54-108-97(61-78)92-51-46-80(63-113(92)124(108)85-68-100(74-29-9-3-10-30-74)120-101(69-85)75-31-11-4-12-32-75)77-48-53-109-96(60-77)90-35-15-20-40-104(90)125(109)86-65-87(71-116-70-86)126-106-42-22-17-37-94(106)115-111(126)44-24-56-118-115/h1-71H
• InChIKey: HFHZPZJCEHHOOP-UHFFFAOYSA-N
• XLogP: 28.91
• TPSA: 94.03 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1606.91
LogP ≤ 5	28.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]-5-[9-(2,6-diphenyl-4-pyridinyl)-7-[9-(5-pyrido[3,2-b]indol-5-yl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]phenyl]pyrido[3,2-b]indole?

The IUPAC name of 5-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]-5-[9-(2,6-diphenyl-4-pyridinyl)-7-[9-(5-pyrido[3,2-b]indol-5-yl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]phenyl]pyrido[3,2-b]indole (CID 129253533) is 5-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]-5-[9-(2,6-diphenyl-4-pyridinyl)-7-[9-(5-pyrido[3,2-b]indol-5-yl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]phenyl]pyrido[3,2-b]indole.

What is the SMILES notation for 5-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]-5-[9-(2,6-diphenyl-4-pyridinyl)-7-[9-(5-pyrido[3,2-b]indol-5-yl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]phenyl]pyrido[3,2-b]indole?

The canonical SMILES for 5-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]-5-[9-(2,6-diphenyl-4-pyridinyl)-7-[9-(5-pyrido[3,2-b]indol-5-yl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]phenyl]pyrido[3,2-b]indole is c1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccc7c(c6)c6ccc(-c8ccc9c(c8)c8ccccc8n9-c8cncc(-n9c%10ccccc%10c%10ncccc%109)c8)cc6n7-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)cc(-n6c7ccccc7c7ncccc76)c5)cc43)cc(-c3ccccc3)n2)cc1.

What is the InChIKey of 5-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]-5-[9-(2,6-diphenyl-4-pyridinyl)-7-[9-(5-pyrido[3,2-b]indol-5-yl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]phenyl]pyrido[3,2-b]indole?

The InChIKey is HFHZPZJCEHHOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C115H71N11/c1-5-25-72(26-6-1)98-66-84(67-99(119-98)73-27-7-2-8-28-73)123-102-38-18-13-33-88(102)91-50-45-79(62-112(91)123)76-47-52-107-95(59-76)89-34-14-19-39-103(89)121(107)82-57-81(58-83(64-82)122-105-41-21-16-36-93(105)114-110(122)43-23-55-117-114)78-49-54-108-97(61-78)92-51-46-80(63-113(92)124(108)85-68-100(74-29-9-3-10-30-74)120-101(69-85)75-31-11-4-12-32-75)77-48-53-109-96(60-77)90-35-15-20-40-104(90)125(109)86-65-87(71-116-70-86)126-106-42-22-17-37-94(106)115-111(126)44-24-56-118-115/h1-71H.

What are the key properties of 5-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]-5-[9-(2,6-diphenyl-4-pyridinyl)-7-[9-(5-pyrido[3,2-b]indol-5-yl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]phenyl]pyrido[3,2-b]indole?

5-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]-5-[9-(2,6-diphenyl-4-pyridinyl)-7-[9-(5-pyrido[3,2-b]indol-5-yl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]phenyl]pyrido[3,2-b]indole has a molecular weight of 1606.91 g/mol, XLogP of 28.91, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]-5-[9-(2,6-diphenyl-4-pyridinyl)-7-[9-(5-pyrido[3,2-b]indol-5-yl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]phenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 129253533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).