3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[3-(9-methylcarbazol-3-yl)phenyl]carbazole

C53H36N4 — CID 118149534

IUPAC3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[3-(9-methylcarbazol-3-yl)phenyl]carbazole
SMILESCn1c2ccccc2c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)cc6)ccc54)c3)ccc21
InChIInChI=1S/C53H36N4/c1-56-49-21-10-8-19-43(49)45-33-41(27-29-50(45)56)39-17-12-18-42(31-39)57-51-22-11-9-20-44(51)46-32-40(28-30-52(46)57)35-23-25-38(26-24-35)53-54-47(36-13-4-2-5-14-36)34-48(55-53)37-15-6-3-7-16-37/h2-34H,1H3
InChIKeyCKVNPHVDSUDJIH-UHFFFAOYSA-N
MW728.90 g/mol
LogP13.55
Rot. Bonds6

About 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[3-(9-methylcarbazol-3-yl)phenyl]carbazole

3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[3-(9-methylcarbazol-3-yl)phenyl]carbazole (PubChem CID 118149534) has the molecular formula C53H36N4 and a molecular weight of 728.90 g/mol. Its IUPAC name is 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[3-(9-methylcarbazol-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[3-(9-methylcarbazol-3-yl)phenyl]carbazole
PubChem CID118149534
Molecular FormulaC53H36N4
Molecular Weight728.90 g/mol
Exact Mass728.29
IUPAC Name3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[3-(9-methylcarbazol-3-yl)phenyl]carbazole
SMILESCn1c2ccccc2c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)cc6)ccc54)c3)ccc21
InChIInChI=1S/C53H36N4/c1-56-49-21-10-8-19-43(49)45-33-41(27-29-50(45)56)39-17-12-18-42(31-39)57-51-22-11-9-20-44(51)46-32-40(28-30-52(46)57)35-23-25-38(26-24-35)53-54-47(36-13-4-2-5-14-36)34-48(55-53)37-15-6-3-7-16-37/h2-34H,1H3
InChIKeyCKVNPHVDSUDJIH-UHFFFAOYSA-N
XLogP13.55
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(3-carbazol-9-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-carbazol-9-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 158945712
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole;9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 159465989
3-[9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158332871
3-(6,9-diphenylcarbazol-3-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylcarbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 161143744
3-phenyl-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 174243912
2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 159883795
3-[9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 145309043
3-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 158018815
5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 155240175
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630575
9-[3-[2-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632710
9-[3-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole
CID 171763921

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[3-(9-methylcarbazol-3-yl)phenyl]carbazole?
The IUPAC name of 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[3-(9-methylcarbazol-3-yl)phenyl]carbazole (CID 118149534) is 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[3-(9-methylcarbazol-3-yl)phenyl]carbazole.
What is the SMILES notation for 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[3-(9-methylcarbazol-3-yl)phenyl]carbazole?
The canonical SMILES for 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[3-(9-methylcarbazol-3-yl)phenyl]carbazole is Cn1c2ccccc2c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)cc6)ccc54)c3)ccc21.
What is the InChIKey of 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[3-(9-methylcarbazol-3-yl)phenyl]carbazole?
The InChIKey is CKVNPHVDSUDJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N4/c1-56-49-21-10-8-19-43(49)45-33-41(27-29-50(45)56)39-17-12-18-42(31-39)57-51-22-11-9-20-44(51)46-32-40(28-30-52(46)57)35-23-25-38(26-24-35)53-54-47(36-13-4-2-5-14-36)34-48(55-53)37-15-6-3-7-16-37/h2-34H,1H3.
What are the key properties of 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[3-(9-methylcarbazol-3-yl)phenyl]carbazole?
3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[3-(9-methylcarbazol-3-yl)phenyl]carbazole has a molecular weight of 728.90 g/mol, XLogP of 13.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[3-(9-methylcarbazol-3-yl)phenyl]carbazole is sourced from PubChem (CID 118149534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).