9-[2-[6-(2-carbazol-9-ylphenyl)-2-methylpyrimidin-4-yl]phenyl]carbazole

C41H28N4 — CID 138393255

IUPAC9-[2-[6-(2-carbazol-9-ylphenyl)-2-methylpyrimidin-4-yl]phenyl]carbazole
SMILESCc1nc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C41H28N4/c1-27-42-34(32-18-6-12-24-40(32)44-36-20-8-2-14-28(36)29-15-3-9-21-37(29)44)26-35(43-27)33-19-7-13-25-41(33)45-38-22-10-4-16-30(38)31-17-5-11-23-39(31)45/h2-26H,1H3
InChIKeyFNLYTGUBPGCRQR-UHFFFAOYSA-N
MW576.70 g/mol
LogP10.31
Rot. Bonds4

About 9-[2-[6-(2-carbazol-9-ylphenyl)-2-methylpyrimidin-4-yl]phenyl]carbazole

9-[2-[6-(2-carbazol-9-ylphenyl)-2-methylpyrimidin-4-yl]phenyl]carbazole (PubChem CID 138393255) has the molecular formula C41H28N4 and a molecular weight of 576.70 g/mol. Its IUPAC name is 9-[2-[6-(2-carbazol-9-ylphenyl)-2-methylpyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[2-[6-(2-carbazol-9-ylphenyl)-2-methylpyrimidin-4-yl]phenyl]carbazole
PubChem CID138393255
Molecular FormulaC41H28N4
Molecular Weight576.70 g/mol
Exact Mass576.23
IUPAC Name9-[2-[6-(2-carbazol-9-ylphenyl)-2-methylpyrimidin-4-yl]phenyl]carbazole
SMILESCc1nc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C41H28N4/c1-27-42-34(32-18-6-12-24-40(32)44-36-20-8-2-14-28(36)29-15-3-9-21-37(29)44)26-35(43-27)33-19-7-13-25-41(33)45-38-22-10-4-16-30(38)31-17-5-11-23-39(31)45/h2-26H,1H3
InChIKeyFNLYTGUBPGCRQR-UHFFFAOYSA-N
XLogP10.31
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-[4-(2-carbazol-9-ylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170940965
9-[2-(2,6-dimethylpyrimidin-4-yl)-4-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole
CID 158390729
9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 155462556
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-[2-(2-carbazol-9-ylphenyl)phenyl]-3-methylcarbazole
CID 170201849
3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170060425
9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 153287600
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
4,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-(2,6-dimethylpyrimidin-4-yl)benzonitrile
CID 139420026
5-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole
CID 176634513
9-[2-[6-[11-[6-(2-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 165151694
9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 155463156

Frequently Asked Questions

What is the IUPAC name of 9-[2-[6-(2-carbazol-9-ylphenyl)-2-methylpyrimidin-4-yl]phenyl]carbazole?
The IUPAC name of 9-[2-[6-(2-carbazol-9-ylphenyl)-2-methylpyrimidin-4-yl]phenyl]carbazole (CID 138393255) is 9-[2-[6-(2-carbazol-9-ylphenyl)-2-methylpyrimidin-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[2-[6-(2-carbazol-9-ylphenyl)-2-methylpyrimidin-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[2-[6-(2-carbazol-9-ylphenyl)-2-methylpyrimidin-4-yl]phenyl]carbazole is Cc1nc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)n1.
What is the InChIKey of 9-[2-[6-(2-carbazol-9-ylphenyl)-2-methylpyrimidin-4-yl]phenyl]carbazole?
The InChIKey is FNLYTGUBPGCRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4/c1-27-42-34(32-18-6-12-24-40(32)44-36-20-8-2-14-28(36)29-15-3-9-21-37(29)44)26-35(43-27)33-19-7-13-25-41(33)45-38-22-10-4-16-30(38)31-17-5-11-23-39(31)45/h2-26H,1H3.
What are the key properties of 9-[2-[6-(2-carbazol-9-ylphenyl)-2-methylpyrimidin-4-yl]phenyl]carbazole?
9-[2-[6-(2-carbazol-9-ylphenyl)-2-methylpyrimidin-4-yl]phenyl]carbazole has a molecular weight of 576.70 g/mol, XLogP of 10.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[6-(2-carbazol-9-ylphenyl)-2-methylpyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 138393255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).