4-[4-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-3-methylbenzonitrile

C30H28N4 — CID 122435781

IUPAC4-[4-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1-c1ccc(-n2c3ccc(N(C)C)cc3c3cc(N(C)C)ccc32)cc1
InChIInChI=1S/C30H28N4/c1-20-16-21(19-31)6-13-26(20)22-7-9-23(10-8-22)34-29-14-11-24(32(2)3)17-27(29)28-18-25(33(4)5)12-15-30(28)34/h6-18H,1-5H3
InChIKeyXQHXKRSQZPQFGX-UHFFFAOYSA-N
MW444.58 g/mol
LogP6.76
Rot. Bonds4

About 4-[4-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-3-methylbenzonitrile

4-[4-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-3-methylbenzonitrile (PubChem CID 122435781) has the molecular formula C30H28N4 and a molecular weight of 444.58 g/mol. Its IUPAC name is 4-[4-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[4-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-3-methylbenzonitrile
PubChem CID122435781
Molecular FormulaC30H28N4
Molecular Weight444.58 g/mol
Exact Mass444.23
IUPAC Name4-[4-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1-c1ccc(-n2c3ccc(N(C)C)cc3c3cc(N(C)C)ccc32)cc1
InChIInChI=1S/C30H28N4/c1-20-16-21(19-31)6-13-26(20)22-7-9-23(10-8-22)34-29-14-11-24(32(2)3)17-27(29)28-18-25(33(4)5)12-15-30(28)34/h6-18H,1-5H3
InChIKeyXQHXKRSQZPQFGX-UHFFFAOYSA-N
XLogP6.76
TPSA35.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile
CID 145126135
4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-3-methylbenzonitrile
CID 122435784
4-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]-3-methylbenzonitrile
CID 162088323
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-(3,6-diphenylcarbazol-9-yl)phenyl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylbenzonitrile
CID 158689118
9-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 154958191
4-(4-hydroxyphenyl)-3-methylbenzonitrile
CID 22274632
4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 138708456
3,5-bis[4-(3-carbazol-9-ylcarbazol-9-yl)-2-methylphenyl]benzonitrile
CID 130353563
9-[9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 149264127
4-[4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-cyanophenyl]phenyl]-3-methylbenzonitrile
CID 158124936
7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958797

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-3-methylbenzonitrile?
The IUPAC name of 4-[4-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-3-methylbenzonitrile (CID 122435781) is 4-[4-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-3-methylbenzonitrile.
What is the SMILES notation for 4-[4-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-3-methylbenzonitrile?
The canonical SMILES for 4-[4-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-3-methylbenzonitrile is Cc1cc(C#N)ccc1-c1ccc(-n2c3ccc(N(C)C)cc3c3cc(N(C)C)ccc32)cc1.
What is the InChIKey of 4-[4-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-3-methylbenzonitrile?
The InChIKey is XQHXKRSQZPQFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4/c1-20-16-21(19-31)6-13-26(20)22-7-9-23(10-8-22)34-29-14-11-24(32(2)3)17-27(29)28-18-25(33(4)5)12-15-30(28)34/h6-18H,1-5H3.
What are the key properties of 4-[4-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-3-methylbenzonitrile?
4-[4-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-3-methylbenzonitrile has a molecular weight of 444.58 g/mol, XLogP of 6.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-3-methylbenzonitrile is sourced from PubChem (CID 122435781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).