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

C55H36N4 — CID 155417153

IUPAC2-benzo[c]carbazol-7-yl-5-[10-[4-(2-phenylpropan-2-yl)phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
SMILESCC(C)(c1ccccc1)c1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2cc(C#N)c(-n3c4ccccc4c4c5ccccc5ccc43)cc2C#N)cc1
InChIInChI=1S/C55H36N4/c1-55(2,41-14-4-3-5-15-41)42-25-20-35(21-26-42)38-24-27-48-46(30-38)54-44-17-9-7-13-37(44)23-29-50(54)59(48)52-32-39(33-56)51(31-40(52)34-57)58-47-19-11-10-18-45(47)53-43-16-8-6-12-36(43)22-28-49(53)58/h3-32H,1-2H3
InChIKeyURSXYYUNDAWLLT-UHFFFAOYSA-N
MW752.92 g/mol
LogP13.92
Rot. Bonds5

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

2-benzo[c]carbazol-7-yl-5-[10-[4-(2-phenylpropan-2-yl)phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile (PubChem CID 155417153) has the molecular formula C55H36N4 and a molecular weight of 752.92 g/mol. Its IUPAC name is 2-benzo[c]carbazol-7-yl-5-[10-[4-(2-phenylpropan-2-yl)phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-benzo[c]carbazol-7-yl-5-[10-[4-(2-phenylpropan-2-yl)phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
PubChem CID155417153
Molecular FormulaC55H36N4
Molecular Weight752.92 g/mol
Exact Mass752.29
IUPAC Name2-benzo[c]carbazol-7-yl-5-[10-[4-(2-phenylpropan-2-yl)phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
SMILESCC(C)(c1ccccc1)c1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2cc(C#N)c(-n3c4ccccc4c4c5ccccc5ccc43)cc2C#N)cc1
InChIInChI=1S/C55H36N4/c1-55(2,41-14-4-3-5-15-41)42-25-20-35(21-26-42)38-24-27-48-46(30-38)54-44-17-9-7-13-37(44)23-29-50(54)59(48)52-32-39(33-56)51(31-40(52)34-57)58-47-19-11-10-18-45(47)53-43-16-8-6-12-36(43)22-28-49(53)58/h3-32H,1-2H3
InChIKeyURSXYYUNDAWLLT-UHFFFAOYSA-N
XLogP13.92
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.92
LogP ≤ 513.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
5-benzo[c]carbazol-7-yl-4-(3-phenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 144765572
5-benzo[c]carbazol-7-yl-4-isocyano-2-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]benzonitrile
CID 153462349
5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-(3,6-diphenylcarbazol-9-yl)benzene-1,2-dicarbonitrile
CID 121324579
5-isocyano-2,4-bis(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
CID 153462263
2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328701
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
4-benzo[c]carbazol-7-yl-5-isocyano-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile
CID 153462299
3-carbazol-9-yl-4-methyl-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
CID 121307289
4-benzo[c]carbazol-7-yl-6-(3-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 121329310
2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328709
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

Frequently Asked Questions

What is the IUPAC name of 2-benzo[c]carbazol-7-yl-5-[10-[4-(2-phenylpropan-2-yl)phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile?
The IUPAC name of 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) is 2-benzo[c]carbazol-7-yl-5-[10-[4-(2-phenylpropan-2-yl)phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-benzo[c]carbazol-7-yl-5-[10-[4-(2-phenylpropan-2-yl)phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-benzo[c]carbazol-7-yl-5-[10-[4-(2-phenylpropan-2-yl)phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile is CC(C)(c1ccccc1)c1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2cc(C#N)c(-n3c4ccccc4c4c5ccccc5ccc43)cc2C#N)cc1.
What is the InChIKey of 2-benzo[c]carbazol-7-yl-5-[10-[4-(2-phenylpropan-2-yl)phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile?
The InChIKey is URSXYYUNDAWLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4/c1-55(2,41-14-4-3-5-15-41)42-25-20-35(21-26-42)38-24-27-48-46(30-38)54-44-17-9-7-13-37(44)23-29-50(54)59(48)52-32-39(33-56)51(31-40(52)34-57)58-47-19-11-10-18-45(47)53-43-16-8-6-12-36(43)22-28-49(53)58/h3-32H,1-2H3.
What are the key properties of 2-benzo[c]carbazol-7-yl-5-[10-[4-(2-phenylpropan-2-yl)phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile?
2-benzo[c]carbazol-7-yl-5-[10-[4-(2-phenylpropan-2-yl)phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile has a molecular weight of 752.92 g/mol, XLogP of 13.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[c]carbazol-7-yl-5-[10-[4-(2-phenylpropan-2-yl)phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile is sourced from PubChem (CID 155417153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).