3-[9-[4-[5-[3-cyano-2-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazol-7-yl]phenyl]-12-phenylindolo[3,2-c]carbazol-5-yl]-2-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)-2-pyridinyl]benzonitrile

C120H70N12 — CID 146409640

About 3-[9-[4-[5-[3-cyano-2-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazol-7-yl]phenyl]-12-phenylindolo[3,2-c]carbazol-5-yl]-2-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)-2-pyridinyl]benzonitrile

3-[9-[4-[5-[3-cyano-2-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazol-7-yl]phenyl]-12-phenylindolo[3,2-c]carbazol-5-yl]-2-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)-2-pyridinyl]benzonitrile (PubChem CID 146409640) has the molecular formula C120H70N12 and a molecular weight of 1679.96 g/mol. Its IUPAC name is 3-[9-[4-[5-[3-cyano-2-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazol-7-yl]phenyl]-12-phenylindolo[3,2-c]carbazol-5-yl]-2-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)-2-pyridinyl]benzonitrile.

Molecular Properties

• Compound Name: 3-[9-[4-[5-[3-cyano-2-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazol-7-yl]phenyl]-12-phenylindolo[3,2-c]carbazol-5-yl]-2-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)-2-pyridinyl]benzonitrile
• PubChem CID: 146409640
• Molecular Formula: C120H70N12
• Molecular Weight: 1679.96 g/mol
• Exact Mass: 1678.58
• IUPAC Name: 3-[9-[4-[5-[3-cyano-2-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazol-7-yl]phenyl]-12-phenylindolo[3,2-c]carbazol-5-yl]-2-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)-2-pyridinyl]benzonitrile
• SMILES: N#Cc1cccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc(-c6ccc7c(c6)c6ccc8c(c9ccccc9n8-c8cccc(C#N)c8-c8ncccc8-n8c9ccccc9c9c8ccc8c%10ccccc%10n(-c%10ccccc%10)c89)c6n7-c6ccccc6)cc5)c4cc32)c1-c1ncccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21
• InChI: InChI=1S/C120H70N12/c121-71-75-28-24-50-103(113(75)117-107(52-26-64-123-117)130-101-49-23-16-42-89(101)116-106(130)62-59-86-81-36-10-19-45-97(81)127(119(86)116)78-32-6-2-7-33-78)129-100-48-22-15-41-88(100)115-105(129)63-60-87-90-66-74(56-61-102(90)128(120(87)115)79-34-8-3-9-35-79)73-54-57-80(58-55-73)126-96-44-18-12-38-83(96)92-67-93-84-39-13-20-46-98(84)131(111(93)69-110(92)126)104-51-25-29-76(72-122)114(104)118-108(53-27-65-124-118)132-99-47-21-14-40-85(99)94-68-91-82-37-11-17-43-95(82)125(109(91)70-112(94)132)77-30-4-1-5-31-77/h1-70H
• InChIKey: ZRIQRWSZGKPWSH-UHFFFAOYSA-N
• XLogP: 30.00
• TPSA: 112.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1679.96
LogP ≤ 5	30.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-[5-[3-cyano-2-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazol-7-yl]phenyl]-12-phenylindolo[3,2-c]carbazol-5-yl]-2-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)-2-pyridinyl]benzonitrile?

The IUPAC name of 3-[9-[4-[5-[3-cyano-2-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazol-7-yl]phenyl]-12-phenylindolo[3,2-c]carbazol-5-yl]-2-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)-2-pyridinyl]benzonitrile (CID 146409640) is 3-[9-[4-[5-[3-cyano-2-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazol-7-yl]phenyl]-12-phenylindolo[3,2-c]carbazol-5-yl]-2-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)-2-pyridinyl]benzonitrile.

What is the SMILES notation for 3-[9-[4-[5-[3-cyano-2-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazol-7-yl]phenyl]-12-phenylindolo[3,2-c]carbazol-5-yl]-2-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)-2-pyridinyl]benzonitrile?

The canonical SMILES for 3-[9-[4-[5-[3-cyano-2-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazol-7-yl]phenyl]-12-phenylindolo[3,2-c]carbazol-5-yl]-2-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)-2-pyridinyl]benzonitrile is N#Cc1cccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc(-c6ccc7c(c6)c6ccc8c(c9ccccc9n8-c8cccc(C#N)c8-c8ncccc8-n8c9ccccc9c9c8ccc8c%10ccccc%10n(-c%10ccccc%10)c89)c6n7-c6ccccc6)cc5)c4cc32)c1-c1ncccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21.

What is the InChIKey of 3-[9-[4-[5-[3-cyano-2-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazol-7-yl]phenyl]-12-phenylindolo[3,2-c]carbazol-5-yl]-2-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)-2-pyridinyl]benzonitrile?

The InChIKey is ZRIQRWSZGKPWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H70N12/c121-71-75-28-24-50-103(113(75)117-107(52-26-64-123-117)130-101-49-23-16-42-89(101)116-106(130)62-59-86-81-36-10-19-45-97(81)127(119(86)116)78-32-6-2-7-33-78)129-100-48-22-15-41-88(100)115-105(129)63-60-87-90-66-74(56-61-102(90)128(120(87)115)79-34-8-3-9-35-79)73-54-57-80(58-55-73)126-96-44-18-12-38-83(96)92-67-93-84-39-13-20-46-98(84)131(111(93)69-110(92)126)104-51-25-29-76(72-122)114(104)118-108(53-27-65-124-118)132-99-47-21-14-40-85(99)94-68-91-82-37-11-17-43-95(82)125(109(91)70-112(94)132)77-30-4-1-5-31-77/h1-70H.

What are the key properties of 3-[9-[4-[5-[3-cyano-2-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazol-7-yl]phenyl]-12-phenylindolo[3,2-c]carbazol-5-yl]-2-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)-2-pyridinyl]benzonitrile?

3-[9-[4-[5-[3-cyano-2-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazol-7-yl]phenyl]-12-phenylindolo[3,2-c]carbazol-5-yl]-2-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)-2-pyridinyl]benzonitrile has a molecular weight of 1679.96 g/mol, XLogP of 30.00, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[4-[5-[3-cyano-2-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazol-7-yl]phenyl]-12-phenylindolo[3,2-c]carbazol-5-yl]-2-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)-2-pyridinyl]benzonitrile is sourced from PubChem (CID 146409640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).