6-[3-[4-[6-[3-[9-[4-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-6-phenylpyrimidin-2-yl]phenyl]-9-(5-carbazol-9-ylpyrimidin-2-yl)-1,3-diphenylpyrido[3,4-b]indole

C118H72N14 — CID 138593187

About 6-[3-[4-[6-[3-[9-[4-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-6-phenylpyrimidin-2-yl]phenyl]-9-(5-carbazol-9-ylpyrimidin-2-yl)-1,3-diphenylpyrido[3,4-b]indole

6-[3-[4-[6-[3-[9-[4-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-6-phenylpyrimidin-2-yl]phenyl]-9-(5-carbazol-9-ylpyrimidin-2-yl)-1,3-diphenylpyrido[3,4-b]indole (PubChem CID 138593187) has the molecular formula C118H72N14 and a molecular weight of 1685.97 g/mol. Its IUPAC name is 6-[3-[4-[6-[3-[9-[4-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-6-phenylpyrimidin-2-yl]phenyl]-9-(5-carbazol-9-ylpyrimidin-2-yl)-1,3-diphenylpyrido[3,4-b]indole.

Molecular Properties

• Compound Name: 6-[3-[4-[6-[3-[9-[4-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-6-phenylpyrimidin-2-yl]phenyl]-9-(5-carbazol-9-ylpyrimidin-2-yl)-1,3-diphenylpyrido[3,4-b]indole
• PubChem CID: 138593187
• Molecular Formula: C118H72N14
• Molecular Weight: 1685.97 g/mol
• Exact Mass: 1684.61
• IUPAC Name: 6-[3-[4-[6-[3-[9-[4-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-6-phenylpyrimidin-2-yl]phenyl]-9-(5-carbazol-9-ylpyrimidin-2-yl)-1,3-diphenylpyrido[3,4-b]indole
• SMILES: c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6nc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)cc(-n7c8ccccc8c8ccccc87)n6)ccc54)n3)nc(-c3cccc(-c4ccc5c(c4)c4cc(-c6ccccc6)nc(-c6ccccc6)c4n5-c4ncc(-n5c6ccccc6c6ccccc65)cn4)c3)n2)cc1
• InChI: InChI=1S/C118H72N14/c1-4-28-73(29-5-1)97-68-95-94-67-78(58-63-111(94)132(115(95)114(122-97)76-32-8-3-9-33-76)117-119-71-83(72-120-117)128-103-47-20-12-38-86(103)87-39-13-21-48-104(87)128)77-34-26-35-81(64-77)116-123-98(74-30-6-2-7-31-74)69-100(124-116)96-44-27-53-112(121-96)129-107-51-24-16-42-90(107)92-65-79(56-61-109(92)129)80-57-62-110-93(66-80)91-43-17-25-52-108(91)131(110)118-125-99(70-113(126-118)130-105-49-22-14-40-88(105)89-41-15-23-50-106(89)130)75-54-59-82(60-55-75)127-101-45-18-10-36-84(101)85-37-11-19-46-102(85)127/h1-72H
• InChIKey: KHQDNBUBCCHTLE-UHFFFAOYSA-N
• XLogP: 28.77
• TPSA: 132.70 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1685.97
LogP ≤ 5	28.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-[6-[3-[9-[4-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-6-phenylpyrimidin-2-yl]phenyl]-9-(5-carbazol-9-ylpyrimidin-2-yl)-1,3-diphenylpyrido[3,4-b]indole?

The IUPAC name of 6-[3-[4-[6-[3-[9-[4-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-6-phenylpyrimidin-2-yl]phenyl]-9-(5-carbazol-9-ylpyrimidin-2-yl)-1,3-diphenylpyrido[3,4-b]indole (CID 138593187) is 6-[3-[4-[6-[3-[9-[4-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-6-phenylpyrimidin-2-yl]phenyl]-9-(5-carbazol-9-ylpyrimidin-2-yl)-1,3-diphenylpyrido[3,4-b]indole.

What is the SMILES notation for 6-[3-[4-[6-[3-[9-[4-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-6-phenylpyrimidin-2-yl]phenyl]-9-(5-carbazol-9-ylpyrimidin-2-yl)-1,3-diphenylpyrido[3,4-b]indole?

The canonical SMILES for 6-[3-[4-[6-[3-[9-[4-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-6-phenylpyrimidin-2-yl]phenyl]-9-(5-carbazol-9-ylpyrimidin-2-yl)-1,3-diphenylpyrido[3,4-b]indole is c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6nc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)cc(-n7c8ccccc8c8ccccc87)n6)ccc54)n3)nc(-c3cccc(-c4ccc5c(c4)c4cc(-c6ccccc6)nc(-c6ccccc6)c4n5-c4ncc(-n5c6ccccc6c6ccccc65)cn4)c3)n2)cc1.

What is the InChIKey of 6-[3-[4-[6-[3-[9-[4-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-6-phenylpyrimidin-2-yl]phenyl]-9-(5-carbazol-9-ylpyrimidin-2-yl)-1,3-diphenylpyrido[3,4-b]indole?

The InChIKey is KHQDNBUBCCHTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C118H72N14/c1-4-28-73(29-5-1)97-68-95-94-67-78(58-63-111(94)132(115(95)114(122-97)76-32-8-3-9-33-76)117-119-71-83(72-120-117)128-103-47-20-12-38-86(103)87-39-13-21-48-104(87)128)77-34-26-35-81(64-77)116-123-98(74-30-6-2-7-31-74)69-100(124-116)96-44-27-53-112(121-96)129-107-51-24-16-42-90(107)92-65-79(56-61-109(92)129)80-57-62-110-93(66-80)91-43-17-25-52-108(91)131(110)118-125-99(70-113(126-118)130-105-49-22-14-40-88(105)89-41-15-23-50-106(89)130)75-54-59-82(60-55-75)127-101-45-18-10-36-84(101)85-37-11-19-46-102(85)127/h1-72H.

What are the key properties of 6-[3-[4-[6-[3-[9-[4-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-6-phenylpyrimidin-2-yl]phenyl]-9-(5-carbazol-9-ylpyrimidin-2-yl)-1,3-diphenylpyrido[3,4-b]indole?

6-[3-[4-[6-[3-[9-[4-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-6-phenylpyrimidin-2-yl]phenyl]-9-(5-carbazol-9-ylpyrimidin-2-yl)-1,3-diphenylpyrido[3,4-b]indole has a molecular weight of 1685.97 g/mol, XLogP of 28.77, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[4-[6-[3-[9-[4-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-6-phenylpyrimidin-2-yl]phenyl]-9-(5-carbazol-9-ylpyrimidin-2-yl)-1,3-diphenylpyrido[3,4-b]indole is sourced from PubChem (CID 138593187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).