6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-quinolin-8-ylcarbazole-3-carbonitrile

C43H26N6 — CID 118152689

IUPAC6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-quinolin-8-ylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc1n2-c1cccc2cccnc12
InChIInChI=1S/C43H26N6/c44-27-28-16-22-37-35(25-28)36-26-34(21-23-38(36)49(37)39-15-7-13-30-14-8-24-45-40(30)39)29-17-19-33(20-18-29)43-47-41(31-9-3-1-4-10-31)46-42(48-43)32-11-5-2-6-12-32/h1-26H
InChIKeyNJEIOGARVUYJNK-UHFFFAOYSA-N
MW626.72 g/mol
LogP10.06
Rot. Bonds5

About 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-quinolin-8-ylcarbazole-3-carbonitrile

6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-quinolin-8-ylcarbazole-3-carbonitrile (PubChem CID 118152689) has the molecular formula C43H26N6 and a molecular weight of 626.72 g/mol. Its IUPAC name is 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-quinolin-8-ylcarbazole-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-quinolin-8-ylcarbazole-3-carbonitrile
PubChem CID118152689
Molecular FormulaC43H26N6
Molecular Weight626.72 g/mol
Exact Mass626.22
IUPAC Name6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-quinolin-8-ylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc1n2-c1cccc2cccnc12
InChIInChI=1S/C43H26N6/c44-27-28-16-22-37-35(25-28)36-26-34(21-23-38(36)49(37)39-15-7-13-30-14-8-24-45-40(30)39)29-17-19-33(20-18-29)43-47-41(31-9-3-1-4-10-31)46-42(48-43)32-11-5-2-6-12-32/h1-26H
InChIKeyNJEIOGARVUYJNK-UHFFFAOYSA-N
XLogP10.06
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.72
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole
CID 164797310
2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476269
3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134321349
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole-3-carbonitrile
CID 118152758
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole-3-carbonitrile
CID 118152961
4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-[4-[2-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-cyanophenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 138712675
4-[4-[4,6-bis[4-(4-cyanophenyl)-2-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170134170
4-(3,6-diphenylcarbazol-9-yl)-3-[2-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003386
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-phenylcarbazol-9-yl)benzonitrile
CID 134476139
9-[3-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 134476174
4-[3-[4,6-bis[4-(4-cyanophenyl)-3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 163984936
4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 139495805

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-quinolin-8-ylcarbazole-3-carbonitrile?
The IUPAC name of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-quinolin-8-ylcarbazole-3-carbonitrile (CID 118152689) is 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-quinolin-8-ylcarbazole-3-carbonitrile.
What is the SMILES notation for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-quinolin-8-ylcarbazole-3-carbonitrile?
The canonical SMILES for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-quinolin-8-ylcarbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc1n2-c1cccc2cccnc12.
What is the InChIKey of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-quinolin-8-ylcarbazole-3-carbonitrile?
The InChIKey is NJEIOGARVUYJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N6/c44-27-28-16-22-37-35(25-28)36-26-34(21-23-38(36)49(37)39-15-7-13-30-14-8-24-45-40(30)39)29-17-19-33(20-18-29)43-47-41(31-9-3-1-4-10-31)46-42(48-43)32-11-5-2-6-12-32/h1-26H.
What are the key properties of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-quinolin-8-ylcarbazole-3-carbonitrile?
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-quinolin-8-ylcarbazole-3-carbonitrile has a molecular weight of 626.72 g/mol, XLogP of 10.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-quinolin-8-ylcarbazole-3-carbonitrile is sourced from PubChem (CID 118152689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).