4-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile

C32H21N3 — CID 145126135

IUPAC4-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1-c1ccc(-n2c3ccccc3c3cc4[nH]c5ccccc5c4cc32)cc1
InChIInChI=1S/C32H21N3/c1-20-16-21(19-33)10-15-24(20)22-11-13-23(14-12-22)35-31-9-5-3-7-26(31)28-17-30-27(18-32(28)35)25-6-2-4-8-29(25)34-30/h2-18,34H,1H3
InChIKeyHMBHXPBHYVHUFZ-UHFFFAOYSA-N
MW447.54 g/mol
LogP8.27
Rot. Bonds2

About 4-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile

4-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile (PubChem CID 145126135) has the molecular formula C32H21N3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 4-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile
PubChem CID145126135
Molecular FormulaC32H21N3
Molecular Weight447.54 g/mol
Exact Mass447.17
IUPAC Name4-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1-c1ccc(-n2c3ccccc3c3cc4[nH]c5ccccc5c4cc32)cc1
InChIInChI=1S/C32H21N3/c1-20-16-21(19-33)10-15-24(20)22-11-13-23(14-12-22)35-31-9-5-3-7-26(31)28-17-30-27(18-32(28)35)25-6-2-4-8-29(25)34-30/h2-18,34H,1H3
InChIKeyHMBHXPBHYVHUFZ-UHFFFAOYSA-N
XLogP8.27
TPSA44.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 58.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-3-methylbenzonitrile
CID 122435784
4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(11H-indolo[3,2-b]carbazol-5-yl)benzonitrile
CID 153302965
4-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]-3-methylbenzonitrile
CID 162088323
7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958797
9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 154957965
4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 138708456
9-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 154958191
4-[4-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-3-methylbenzonitrile
CID 122435781
3,5-bis[4-(3-carbazol-9-ylcarbazol-9-yl)-2-methylphenyl]benzonitrile
CID 130353563
3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,4-dimethylphenyl)phenyl]benzonitrile
CID 158410931
4-[2-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile
CID 158391932
5-(4-fluorophenyl)-7H-indolo[2,3-b]carbazole
CID 147994164

Frequently Asked Questions

What is the IUPAC name of 4-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile?
The IUPAC name of 4-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile (CID 145126135) is 4-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile.
What is the SMILES notation for 4-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile?
The canonical SMILES for 4-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile is Cc1cc(C#N)ccc1-c1ccc(-n2c3ccccc3c3cc4[nH]c5ccccc5c4cc32)cc1.
What is the InChIKey of 4-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile?
The InChIKey is HMBHXPBHYVHUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3/c1-20-16-21(19-33)10-15-24(20)22-11-13-23(14-12-22)35-31-9-5-3-7-26(31)28-17-30-27(18-32(28)35)25-6-2-4-8-29(25)34-30/h2-18,34H,1H3.
What are the key properties of 4-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile?
4-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile has a molecular weight of 447.54 g/mol, XLogP of 8.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile is sourced from PubChem (CID 145126135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).