9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3,6-dimethylcarbazole

C38H28N4 — CID 161395332

IUPAC9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cnc3nc(-c4ccccc4)c(-c4ccccc4)n3c2)cc1
InChIInChI=1S/C38H28N4/c1-25-13-19-34-32(21-25)33-22-26(2)14-20-35(33)42(34)31-17-15-27(16-18-31)30-23-39-38-40-36(28-9-5-3-6-10-28)37(41(38)24-30)29-11-7-4-8-12-29/h3-24H,1-2H3
InChIKeyYUVJDUJHHIUFMS-UHFFFAOYSA-N
MW540.67 g/mol
LogP9.44
Rot. Bonds4

About 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3,6-dimethylcarbazole

9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3,6-dimethylcarbazole (PubChem CID 161395332) has the molecular formula C38H28N4 and a molecular weight of 540.67 g/mol. Its IUPAC name is 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3,6-dimethylcarbazole
PubChem CID161395332
Molecular FormulaC38H28N4
Molecular Weight540.67 g/mol
Exact Mass540.23
IUPAC Name9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cnc3nc(-c4ccccc4)c(-c4ccccc4)n3c2)cc1
InChIInChI=1S/C38H28N4/c1-25-13-19-34-32(21-25)33-22-26(2)14-20-35(33)42(34)31-17-15-27(16-18-31)30-23-39-38-40-36(28-9-5-3-6-10-28)37(41(38)24-30)29-11-7-4-8-12-29/h3-24H,1-2H3
InChIKeyYUVJDUJHHIUFMS-UHFFFAOYSA-N
XLogP9.44
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.67
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 162149863
9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-N,N-diphenylcarbazol-3-amine
CID 162149861
9-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)carbazole
CID 160731733
3,6-ditert-butyl-9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]carbazole;9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)-2,6-dimethylphenyl]-3,6-dimethylcarbazole;9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)-2-methylphenyl]carbazole;9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)-2-methylphenyl]-3,6-dimethylcarbazole;9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]carbazole;9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3,6-dimethylcarbazole;5-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)-10-phenylphenazine;9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-1,3,6,8-tetramethylcarbazole
CID 161395328
9-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-3,6-dimethylcarbazole
CID 159785437
N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-5,6-diphenylpyrazin-2-yl]-N-phenylaniline
CID 118029528
9-(4-phenylphenyl)-3,6-bis(1,4,5-triphenylimidazol-2-yl)carbazole
CID 141396920
3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067272
3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488392
8-methyl-5-(4-phenylphenyl)pyrido[3,2-b]indole
CID 144976361
N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138467755
2-(4-bromophenyl)-1-(4-methylphenyl)-5,6-diphenylimidazo[1,2-a]imidazole
CID 3509542

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3,6-dimethylcarbazole (CID 161395332) is 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cnc3nc(-c4ccccc4)c(-c4ccccc4)n3c2)cc1.
What is the InChIKey of 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3,6-dimethylcarbazole?
The InChIKey is YUVJDUJHHIUFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N4/c1-25-13-19-34-32(21-25)33-22-26(2)14-20-35(33)42(34)31-17-15-27(16-18-31)30-23-39-38-40-36(28-9-5-3-6-10-28)37(41(38)24-30)29-11-7-4-8-12-29/h3-24H,1-2H3.
What are the key properties of 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3,6-dimethylcarbazole?
9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3,6-dimethylcarbazole has a molecular weight of 540.67 g/mol, XLogP of 9.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 161395332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).