9-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-3,6-dimethylcarbazole

C32H24N4 — CID 159785437

IUPAC9-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccn2c(-c3ccccc3)c(-c3ccccc3)nc2n1
InChIInChI=1S/C32H24N4/c1-21-13-15-27-25(19-21)26-20-22(2)14-16-28(26)36(27)29-17-18-35-31(24-11-7-4-8-12-24)30(34-32(35)33-29)23-9-5-3-6-10-23/h3-20H,1-2H3
InChIKeyYIWFDFMXZIVHDO-UHFFFAOYSA-N
MW464.57 g/mol
LogP7.78
Rot. Bonds3

About 9-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-3,6-dimethylcarbazole

9-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-3,6-dimethylcarbazole (PubChem CID 159785437) has the molecular formula C32H24N4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 9-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-3,6-dimethylcarbazole
PubChem CID159785437
Molecular FormulaC32H24N4
Molecular Weight464.57 g/mol
Exact Mass464.20
IUPAC Name9-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccn2c(-c3ccccc3)c(-c3ccccc3)nc2n1
InChIInChI=1S/C32H24N4/c1-21-13-15-27-25(19-21)26-20-22(2)14-16-28(26)36(27)29-17-18-35-31(24-11-7-4-8-12-24)30(34-32(35)33-29)23-9-5-3-6-10-23/h3-20H,1-2H3
InChIKeyYIWFDFMXZIVHDO-UHFFFAOYSA-N
XLogP7.78
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 57.78
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]-3,6-dimethylcarbazole
CID 161395332
9-(4,6-diphenyl-2-pyridinyl)-3-methylcarbazole;ethane
CID 144875865
5-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 159082261
9-[4-(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 146512114
7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine
CID 69376905
7-methyl-5-phenyltetrazolo[1,5-a]quinazoline
CID 877898
9-[4-[3,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,6-dimethylcarbazol-9-yl)-2-pyridinyl]-3,6-dimethylcarbazole
CID 166759147
3-[9-(2,3-diphenylimidazo[1,2-a]pyridin-7-yl)carbazol-3-yl]-9-phenylcarbazole
CID 159206818
10-methyl-2,3-diphenylimidazo[1,2-f]phenanthridine
CID 132577859
7-methoxy-3-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridine
CID 132581809
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole
CID 162500647
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

Frequently Asked Questions

What is the IUPAC name of 9-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-3,6-dimethylcarbazole?
The IUPAC name of 9-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-3,6-dimethylcarbazole (CID 159785437) is 9-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-3,6-dimethylcarbazole.
What is the SMILES notation for 9-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-3,6-dimethylcarbazole?
The canonical SMILES for 9-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccn2c(-c3ccccc3)c(-c3ccccc3)nc2n1.
What is the InChIKey of 9-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-3,6-dimethylcarbazole?
The InChIKey is YIWFDFMXZIVHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N4/c1-21-13-15-27-25(19-21)26-20-22(2)14-16-28(26)36(27)29-17-18-35-31(24-11-7-4-8-12-24)30(34-32(35)33-29)23-9-5-3-6-10-23/h3-20H,1-2H3.
What are the key properties of 9-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-3,6-dimethylcarbazole?
9-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-3,6-dimethylcarbazole has a molecular weight of 464.57 g/mol, XLogP of 7.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-3,6-dimethylcarbazole is sourced from PubChem (CID 159785437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).