2-benzo[c]carbazol-7-yl-3-[3-[7-(5-benzo[c]carbazol-7-yl-2,4-dicyanophenyl)benzo[c]carbazol-10-yl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile

C80H42N8 — CID 155449841

IUPAC2-benzo[c]carbazol-7-yl-3-[3-[7-(5-benzo[c]carbazol-7-yl-2,4-dicyanophenyl)benzo[c]carbazol-10-yl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-n2c3ccc(-c4ccc5c(ccc6c5c5ccccc5n6-c5c(C#N)ccc(C#N)c5-n5c6ccccc6c6c7ccccc7ccc65)c4)cc3c3c4ccccc4ccc32)cc1-n1c2ccccc2c2c3ccccc3ccc21
InChIInChI=1S/C80H42N8/c81-43-53-25-26-54(44-82)80(79(53)87-66-23-11-8-20-62(66)76-58-17-5-2-14-48(58)30-37-71(76)87)88-67-24-12-9-21-63(67)77-60-33-27-50(39-52(60)32-38-72(77)88)51-31-34-68-64(41-51)78-59-18-6-3-15-49(59)29-36-70(78)86(68)74-42-73(55(45-83)40-56(74)46-84)85-65-22-10-7-19-61(65)75-57-16-4-1-13-47(57)28-35-69(75)85/h1-42H
InChIKeyFHRFECWELGKXIV-UHFFFAOYSA-N
MW1115.27 g/mol
LogP19.84
Rot. Bonds5

About 2-benzo[c]carbazol-7-yl-3-[3-[7-(5-benzo[c]carbazol-7-yl-2,4-dicyanophenyl)benzo[c]carbazol-10-yl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile

2-benzo[c]carbazol-7-yl-3-[3-[7-(5-benzo[c]carbazol-7-yl-2,4-dicyanophenyl)benzo[c]carbazol-10-yl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile (PubChem CID 155449841) has the molecular formula C80H42N8 and a molecular weight of 1115.27 g/mol. Its IUPAC name is 2-benzo[c]carbazol-7-yl-3-[3-[7-(5-benzo[c]carbazol-7-yl-2,4-dicyanophenyl)benzo[c]carbazol-10-yl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-benzo[c]carbazol-7-yl-3-[3-[7-(5-benzo[c]carbazol-7-yl-2,4-dicyanophenyl)benzo[c]carbazol-10-yl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
PubChem CID155449841
Molecular FormulaC80H42N8
Molecular Weight1115.27 g/mol
Exact Mass1114.35
IUPAC Name2-benzo[c]carbazol-7-yl-3-[3-[7-(5-benzo[c]carbazol-7-yl-2,4-dicyanophenyl)benzo[c]carbazol-10-yl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-n2c3ccc(-c4ccc5c(ccc6c5c5ccccc5n6-c5c(C#N)ccc(C#N)c5-n5c6ccccc6c6c7ccccc7ccc65)c4)cc3c3c4ccccc4ccc32)cc1-n1c2ccccc2c2c3ccccc3ccc21
InChIInChI=1S/C80H42N8/c81-43-53-25-26-54(44-82)80(79(53)87-66-23-11-8-20-62(66)76-58-17-5-2-14-48(58)30-37-71(76)87)88-67-24-12-9-21-63(67)77-60-33-27-50(39-52(60)32-38-72(77)88)51-31-34-68-64(41-51)78-59-18-6-3-15-49(59)29-36-70(78)86(68)74-42-73(55(45-83)40-56(74)46-84)85-65-22-10-7-19-61(65)75-57-16-4-1-13-47(57)28-35-69(75)85/h1-42H
InChIKeyFHRFECWELGKXIV-UHFFFAOYSA-N
XLogP19.84
TPSA114.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001115.27
LogP ≤ 519.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-benzo[c]carbazol-7-yl-3-[3-[7-(5-benzo[c]carbazol-7-yl-2,4-dicyanophenyl)benzo[c]carbazol-10-yl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile with MolForge

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Related Compounds

4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-3-[3-[7-(2-carbazol-9-yl-3,4-dicyanophenyl)benzo[c]carbazol-3-yl]carbazol-9-yl]benzene-1,2-dicarbonitrile
CID 155450666
3-carbazol-9-yl-4-methyl-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
CID 121307289
2-benzo[c]carbazol-7-yl-5-[10-[4-(2-phenylpropan-2-yl)phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
CID 155417153
4-benzo[c]carbazol-7-yl-6-(3-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 121329310
2,5-bis(24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-9-yl)benzene-1,4-dicarbonitrile
CID 121328528
5-benzo[c]carbazol-7-yl-4-(3-phenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 144765572
5-isocyano-2,4-bis(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
CID 153462263
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 130351055
4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 121307484
2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
CID 121328605
2,5-bis(benzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile
CID 121328874
7-naphthalen-1-yl-3-(7-naphthalen-2-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130351193

Frequently Asked Questions

What is the IUPAC name of 2-benzo[c]carbazol-7-yl-3-[3-[7-(5-benzo[c]carbazol-7-yl-2,4-dicyanophenyl)benzo[c]carbazol-10-yl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile?
The IUPAC name of 2-benzo[c]carbazol-7-yl-3-[3-[7-(5-benzo[c]carbazol-7-yl-2,4-dicyanophenyl)benzo[c]carbazol-10-yl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile (CID 155449841) is 2-benzo[c]carbazol-7-yl-3-[3-[7-(5-benzo[c]carbazol-7-yl-2,4-dicyanophenyl)benzo[c]carbazol-10-yl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-benzo[c]carbazol-7-yl-3-[3-[7-(5-benzo[c]carbazol-7-yl-2,4-dicyanophenyl)benzo[c]carbazol-10-yl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-benzo[c]carbazol-7-yl-3-[3-[7-(5-benzo[c]carbazol-7-yl-2,4-dicyanophenyl)benzo[c]carbazol-10-yl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile is N#Cc1cc(C#N)c(-n2c3ccc(-c4ccc5c(ccc6c5c5ccccc5n6-c5c(C#N)ccc(C#N)c5-n5c6ccccc6c6c7ccccc7ccc65)c4)cc3c3c4ccccc4ccc32)cc1-n1c2ccccc2c2c3ccccc3ccc21.
What is the InChIKey of 2-benzo[c]carbazol-7-yl-3-[3-[7-(5-benzo[c]carbazol-7-yl-2,4-dicyanophenyl)benzo[c]carbazol-10-yl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile?
The InChIKey is FHRFECWELGKXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H42N8/c81-43-53-25-26-54(44-82)80(79(53)87-66-23-11-8-20-62(66)76-58-17-5-2-14-48(58)30-37-71(76)87)88-67-24-12-9-21-63(67)77-60-33-27-50(39-52(60)32-38-72(77)88)51-31-34-68-64(41-51)78-59-18-6-3-15-49(59)29-36-70(78)86(68)74-42-73(55(45-83)40-56(74)46-84)85-65-22-10-7-19-61(65)75-57-16-4-1-13-47(57)28-35-69(75)85/h1-42H.
What are the key properties of 2-benzo[c]carbazol-7-yl-3-[3-[7-(5-benzo[c]carbazol-7-yl-2,4-dicyanophenyl)benzo[c]carbazol-10-yl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile?
2-benzo[c]carbazol-7-yl-3-[3-[7-(5-benzo[c]carbazol-7-yl-2,4-dicyanophenyl)benzo[c]carbazol-10-yl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile has a molecular weight of 1115.27 g/mol, XLogP of 19.84, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[c]carbazol-7-yl-3-[3-[7-(5-benzo[c]carbazol-7-yl-2,4-dicyanophenyl)benzo[c]carbazol-10-yl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile is sourced from PubChem (CID 155449841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).