2-carbazol-9-yl-4,6-bis(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;2-carbazol-9-yl-4,6-bis(3-phenylcarbazol-9-yl)pyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile

C171H104N18 — CID 160878299

IUPAC2-carbazol-9-yl-4,6-bis(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;2-carbazol-9-yl-4,6-bis(3-phenylcarbazol-9-yl)pyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)nc(-n2c3ccccc3c3ccccc32)nc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.N#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)nc(-n2c3ccccc3c3ccccc32)nc1-n1c2ccccc2c2cc(-c3ccccc3)ccc21.N#Cc1c(-n2c3ccccc3c3ccccc32)nc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)nc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C65H40N6.2C53H32N6/c66-41-56-63(69-59-33-29-46(42-17-5-1-6-18-42)37-52(59)53-38-47(30-34-60(53)69)43-19-7-2-8-20-43)67-65(71-57-27-15-13-25-50(57)51-26-14-16-28-58(51)71)68-64(56)70-61-35-31-48(44-21-9-3-10-22-44)39-54(61)55-40-49(32-36-62(55)70)45-23-11-4-12-24-45;54-33-44-51(57-45-23-11-9-21-40(45)42-31-36(27-29-49(42)57)34-15-3-1-4-16-34)55-53(59-47-25-13-7-19-38(47)39-20-8-14-26-48(39)59)56-52(44)58-46-24-12-10-22-41(46)43-32-37(28-30-50(43)58)35-17-5-2-6-18-35;54-33-44-51(57-45-23-11-7-19-38(45)39-20-8-12-24-46(39)57)55-53(56-52(44)58-47-25-13-9-21-40(47)41-22-10-14-26-48(41)58)59-49-29-27-36(34-15-3-1-4-16-34)31-42(49)43-32-37(28-30-50(43)59)35-17-5-2-6-18-35/h1-40H;2*1-32H
InChIKeySMRRRGVWKBILSQ-UHFFFAOYSA-N
MW2410.84 g/mol
LogP42.25
Rot. Bonds17

About 2-carbazol-9-yl-4,6-bis(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;2-carbazol-9-yl-4,6-bis(3-phenylcarbazol-9-yl)pyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile

2-carbazol-9-yl-4,6-bis(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;2-carbazol-9-yl-4,6-bis(3-phenylcarbazol-9-yl)pyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile (PubChem CID 160878299) has the molecular formula C171H104N18 and a molecular weight of 2410.84 g/mol. Its IUPAC name is 2-carbazol-9-yl-4,6-bis(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;2-carbazol-9-yl-4,6-bis(3-phenylcarbazol-9-yl)pyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-4,6-bis(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;2-carbazol-9-yl-4,6-bis(3-phenylcarbazol-9-yl)pyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile
PubChem CID160878299
Molecular FormulaC171H104N18
Molecular Weight2410.84 g/mol
Exact Mass2408.87
IUPAC Name2-carbazol-9-yl-4,6-bis(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;2-carbazol-9-yl-4,6-bis(3-phenylcarbazol-9-yl)pyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)nc(-n2c3ccccc3c3ccccc32)nc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.N#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)nc(-n2c3ccccc3c3ccccc32)nc1-n1c2ccccc2c2cc(-c3ccccc3)ccc21.N#Cc1c(-n2c3ccccc3c3ccccc32)nc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)nc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C65H40N6.2C53H32N6/c66-41-56-63(69-59-33-29-46(42-17-5-1-6-18-42)37-52(59)53-38-47(30-34-60(53)69)43-19-7-2-8-20-43)67-65(71-57-27-15-13-25-50(57)51-26-14-16-28-58(51)71)68-64(56)70-61-35-31-48(44-21-9-3-10-22-44)39-54(61)55-40-49(32-36-62(55)70)45-23-11-4-12-24-45;54-33-44-51(57-45-23-11-9-21-40(45)42-31-36(27-29-49(42)57)34-15-3-1-4-16-34)55-53(59-47-25-13-7-19-38(47)39-20-8-14-26-48(39)59)56-52(44)58-46-24-12-10-22-41(46)43-32-37(28-30-50(43)58)35-17-5-2-6-18-35;54-33-44-51(57-45-23-11-7-19-38(45)39-20-8-12-24-46(39)57)55-53(56-52(44)58-47-25-13-9-21-40(47)41-22-10-14-26-48(41)58)59-49-29-27-36(34-15-3-1-4-16-34)31-42(49)43-32-37(28-30-50(43)59)35-17-5-2-6-18-35/h1-40H;2*1-32H
InChIKeySMRRRGVWKBILSQ-UHFFFAOYSA-N
XLogP42.25
TPSA193.08 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002410.84
LogP ≤ 542.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-carbazol-9-yl-4,6-bis(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;2-carbazol-9-yl-4,6-bis(3-phenylcarbazol-9-yl)pyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile with MolForge

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Related Compounds

2-carbazol-9-yl-4,6-bis(3,6-dimethylcarbazol-9-yl)pyrimidine-5-carbonitrile
CID 153461375
4,6-di(carbazol-9-yl)-2-chloropyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;3,6-diphenyl-9H-fluorene;9H-fluorene;2,4,6-trichloropyrimidine-5-carbonitrile
CID 159567553
2,5-di(carbazol-9-yl)-4,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 167015442
2-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134512928
2-(3-dibenzothiophen-2-ylcarbazol-9-yl)quinoline-3,4-dicarbonitrile
CID 121337939
5-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]-2-(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 170444642
3-[4-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 90182891
4-[4,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]benzonitrile
CID 118259280
3-phenyl-9-[4-[3-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 137401861
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole
CID 58556490
9-(4,6-diphenylpyrimidin-2-yl)-3,6-bis(3-phenylphenyl)carbazole
CID 123639414
4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 118506873

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-4,6-bis(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;2-carbazol-9-yl-4,6-bis(3-phenylcarbazol-9-yl)pyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 2-carbazol-9-yl-4,6-bis(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;2-carbazol-9-yl-4,6-bis(3-phenylcarbazol-9-yl)pyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile (CID 160878299) is 2-carbazol-9-yl-4,6-bis(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;2-carbazol-9-yl-4,6-bis(3-phenylcarbazol-9-yl)pyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-carbazol-9-yl-4,6-bis(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;2-carbazol-9-yl-4,6-bis(3-phenylcarbazol-9-yl)pyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-carbazol-9-yl-4,6-bis(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;2-carbazol-9-yl-4,6-bis(3-phenylcarbazol-9-yl)pyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile is N#Cc1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)nc(-n2c3ccccc3c3ccccc32)nc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.N#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)nc(-n2c3ccccc3c3ccccc32)nc1-n1c2ccccc2c2cc(-c3ccccc3)ccc21.N#Cc1c(-n2c3ccccc3c3ccccc32)nc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)nc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-yl-4,6-bis(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;2-carbazol-9-yl-4,6-bis(3-phenylcarbazol-9-yl)pyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile?
The InChIKey is SMRRRGVWKBILSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H40N6.2C53H32N6/c66-41-56-63(69-59-33-29-46(42-17-5-1-6-18-42)37-52(59)53-38-47(30-34-60(53)69)43-19-7-2-8-20-43)67-65(71-57-27-15-13-25-50(57)51-26-14-16-28-58(51)71)68-64(56)70-61-35-31-48(44-21-9-3-10-22-44)39-54(61)55-40-49(32-36-62(55)70)45-23-11-4-12-24-45;54-33-44-51(57-45-23-11-9-21-40(45)42-31-36(27-29-49(42)57)34-15-3-1-4-16-34)55-53(59-47-25-13-7-19-38(47)39-20-8-14-26-48(39)59)56-52(44)58-46-24-12-10-22-41(46)43-32-37(28-30-50(43)58)35-17-5-2-6-18-35;54-33-44-51(57-45-23-11-7-19-38(45)39-20-8-12-24-46(39)57)55-53(56-52(44)58-47-25-13-9-21-40(47)41-22-10-14-26-48(41)58)59-49-29-27-36(34-15-3-1-4-16-34)31-42(49)43-32-37(28-30-50(43)59)35-17-5-2-6-18-35/h1-40H;2*1-32H.
What are the key properties of 2-carbazol-9-yl-4,6-bis(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;2-carbazol-9-yl-4,6-bis(3-phenylcarbazol-9-yl)pyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile?
2-carbazol-9-yl-4,6-bis(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;2-carbazol-9-yl-4,6-bis(3-phenylcarbazol-9-yl)pyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile has a molecular weight of 2410.84 g/mol, XLogP of 42.25, 17 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-4,6-bis(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;2-carbazol-9-yl-4,6-bis(3-phenylcarbazol-9-yl)pyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 160878299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).