9-[2-[4-(2-carbazol-9-ylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenyl]carbazole

C40H27N5 — CID 170940965

IUPAC9-[2-[4-(2-carbazol-9-ylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESCc1nc(-c2ccccc2-n2c3ccccc3c3ccccc32)nc(-c2ccccc2-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C40H27N5/c1-26-41-39(31-18-6-12-24-37(31)44-33-20-8-2-14-27(33)28-15-3-9-21-34(28)44)43-40(42-26)32-19-7-13-25-38(32)45-35-22-10-4-16-29(35)30-17-5-11-23-36(30)45/h2-25H,1H3
InChIKeyKHQDPNNKBMCDME-UHFFFAOYSA-N
MW577.69 g/mol
LogP9.71
Rot. Bonds4

About 9-[2-[4-(2-carbazol-9-ylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenyl]carbazole

9-[2-[4-(2-carbazol-9-ylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 170940965) has the molecular formula C40H27N5 and a molecular weight of 577.69 g/mol. Its IUPAC name is 9-[2-[4-(2-carbazol-9-ylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[2-[4-(2-carbazol-9-ylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID170940965
Molecular FormulaC40H27N5
Molecular Weight577.69 g/mol
Exact Mass577.23
IUPAC Name9-[2-[4-(2-carbazol-9-ylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESCc1nc(-c2ccccc2-n2c3ccccc3c3ccccc32)nc(-c2ccccc2-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C40H27N5/c1-26-41-39(31-18-6-12-24-37(31)44-33-20-8-2-14-27(33)28-15-3-9-21-34(28)44)43-40(42-26)32-19-7-13-25-38(32)45-35-22-10-4-16-29(35)30-17-5-11-23-36(30)45/h2-25H,1H3
InChIKeyKHQDPNNKBMCDME-UHFFFAOYSA-N
XLogP9.71
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.69
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158893462
9-[2-[6-(2-carbazol-9-ylphenyl)-2-methylpyrimidin-4-yl]phenyl]carbazole
CID 138393255
11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;ethane
CID 144644723
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 167032295
9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 162115065
9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 137414472
9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 155463041
9-[4-[4-(4-carbazol-9-ylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126564639
9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole
CID 163536109
7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole
CID 169037005
3,6-dideuterio-9-[4-(3,6-dideuteriocarbazol-9-yl)-6-[2-(3,6-dideuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 164788719
5-[2-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 146573174

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(2-carbazol-9-ylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 9-[2-[4-(2-carbazol-9-ylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenyl]carbazole (CID 170940965) is 9-[2-[4-(2-carbazol-9-ylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[2-[4-(2-carbazol-9-ylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[2-[4-(2-carbazol-9-ylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenyl]carbazole is Cc1nc(-c2ccccc2-n2c3ccccc3c3ccccc32)nc(-c2ccccc2-n2c3ccccc3c3ccccc32)n1.
What is the InChIKey of 9-[2-[4-(2-carbazol-9-ylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is KHQDPNNKBMCDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N5/c1-26-41-39(31-18-6-12-24-37(31)44-33-20-8-2-14-27(33)28-15-3-9-21-34(28)44)43-40(42-26)32-19-7-13-25-38(32)45-35-22-10-4-16-29(35)30-17-5-11-23-36(30)45/h2-25H,1H3.
What are the key properties of 9-[2-[4-(2-carbazol-9-ylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenyl]carbazole?
9-[2-[4-(2-carbazol-9-ylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 577.69 g/mol, XLogP of 9.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-(2-carbazol-9-ylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 170940965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).