3,5-bis[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-2,4,6-tris(pyrido[3,2-b]indol-5-yl)benzonitrile

C100H59N11 — CID 146530819

IUPAC3,5-bis[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-2,4,6-tris(pyrido[3,2-b]indol-5-yl)benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc32)c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc32)c1-n1c2ccccc2c2ncccc21
InChIInChI=1S/C100H59N11/c101-60-78-96(109-85-43-16-7-34-73(85)93-90(109)46-21-53-102-93)98(107-83-41-14-5-32-71(83)76-58-63(49-51-88(76)107)61-24-19-26-65(56-61)105-79-37-10-1-28-67(79)68-29-2-11-38-80(68)105)100(111-87-45-18-9-36-75(87)95-92(111)48-23-55-104-95)99(97(78)110-86-44-17-8-35-74(86)94-91(110)47-22-54-103-94)108-84-42-15-6-33-72(84)77-59-64(50-52-89(77)108)62-25-20-27-66(57-62)106-81-39-12-3-30-69(81)70-31-4-13-40-82(70)106/h1-59H
InChIKeyYMNIFIOHPVWCJH-UHFFFAOYSA-N
MW1414.65 g/mol
LogP24.76
Rot. Bonds9

About 3,5-bis[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-2,4,6-tris(pyrido[3,2-b]indol-5-yl)benzonitrile

3,5-bis[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-2,4,6-tris(pyrido[3,2-b]indol-5-yl)benzonitrile (PubChem CID 146530819) has the molecular formula C100H59N11 and a molecular weight of 1414.65 g/mol. Its IUPAC name is 3,5-bis[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-2,4,6-tris(pyrido[3,2-b]indol-5-yl)benzonitrile.

Molecular Properties

Compound Name3,5-bis[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-2,4,6-tris(pyrido[3,2-b]indol-5-yl)benzonitrile
PubChem CID146530819
Molecular FormulaC100H59N11
Molecular Weight1414.65 g/mol
Exact Mass1413.50
IUPAC Name3,5-bis[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-2,4,6-tris(pyrido[3,2-b]indol-5-yl)benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc32)c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc32)c1-n1c2ccccc2c2ncccc21
InChIInChI=1S/C100H59N11/c101-60-78-96(109-85-43-16-7-34-73(85)93-90(109)46-21-53-102-93)98(107-83-41-14-5-32-71(83)76-58-63(49-51-88(76)107)61-24-19-26-65(56-61)105-79-37-10-1-28-67(79)68-29-2-11-38-80(68)105)100(111-87-45-18-9-36-75(87)95-92(111)48-23-55-104-95)99(97(78)110-86-44-17-8-35-74(86)94-91(110)47-22-54-103-94)108-84-42-15-6-33-72(84)77-59-64(50-52-89(77)108)62-25-20-27-66(57-62)106-81-39-12-3-30-69(81)70-31-4-13-40-82(70)106/h1-59H
InChIKeyYMNIFIOHPVWCJH-UHFFFAOYSA-N
XLogP24.76
TPSA96.97 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001414.65
LogP ≤ 524.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
CID 139523680
2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-(4-pyrido[3,2-b]indol-5-ylphenyl)benzonitrile
CID 139507241
9-[3-[3-(20-phenyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-10-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 139575294
2,5-di(carbazol-9-yl)-4,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 167015442
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 129221991
8-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 118587585
2-methyl-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)benzonitrile
CID 146531108
5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587590
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587602
8-(9-phenylcarbazol-2-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-(3-phenylphenyl)-8-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole
CID 161395661
8-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 129221984
7-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 129221946

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-2,4,6-tris(pyrido[3,2-b]indol-5-yl)benzonitrile?
The IUPAC name of 3,5-bis[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-2,4,6-tris(pyrido[3,2-b]indol-5-yl)benzonitrile (CID 146530819) is 3,5-bis[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-2,4,6-tris(pyrido[3,2-b]indol-5-yl)benzonitrile.
What is the SMILES notation for 3,5-bis[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-2,4,6-tris(pyrido[3,2-b]indol-5-yl)benzonitrile?
The canonical SMILES for 3,5-bis[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-2,4,6-tris(pyrido[3,2-b]indol-5-yl)benzonitrile is N#Cc1c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc32)c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc32)c1-n1c2ccccc2c2ncccc21.
What is the InChIKey of 3,5-bis[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-2,4,6-tris(pyrido[3,2-b]indol-5-yl)benzonitrile?
The InChIKey is YMNIFIOHPVWCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H59N11/c101-60-78-96(109-85-43-16-7-34-73(85)93-90(109)46-21-53-102-93)98(107-83-41-14-5-32-71(83)76-58-63(49-51-88(76)107)61-24-19-26-65(56-61)105-79-37-10-1-28-67(79)68-29-2-11-38-80(68)105)100(111-87-45-18-9-36-75(87)95-92(111)48-23-55-104-95)99(97(78)110-86-44-17-8-35-74(86)94-91(110)47-22-54-103-94)108-84-42-15-6-33-72(84)77-59-64(50-52-89(77)108)62-25-20-27-66(57-62)106-81-39-12-3-30-69(81)70-31-4-13-40-82(70)106/h1-59H.
What are the key properties of 3,5-bis[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-2,4,6-tris(pyrido[3,2-b]indol-5-yl)benzonitrile?
3,5-bis[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-2,4,6-tris(pyrido[3,2-b]indol-5-yl)benzonitrile has a molecular weight of 1414.65 g/mol, XLogP of 24.76, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-2,4,6-tris(pyrido[3,2-b]indol-5-yl)benzonitrile is sourced from PubChem (CID 146530819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).