9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,3,6,8-tetramethylcarbazole

C38H31N3 — CID 155766144

IUPAC9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,3,6,8-tetramethylcarbazole
SMILESCc1cc(C)c2c(c1)c1cc(C)cc(C)c1n2-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C38H31N3/c1-24-19-26(3)36-32(21-24)33-22-25(2)20-27(4)37(33)41(36)31-17-15-30(16-18-31)38-39-34(28-11-7-5-8-12-28)23-35(40-38)29-13-9-6-10-14-29/h5-23H,1-4H3
InChIKeyZPRFWYYUOHJYMW-UHFFFAOYSA-N
MW529.69 g/mol
LogP9.81
Rot. Bonds4

About 9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,3,6,8-tetramethylcarbazole

9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,3,6,8-tetramethylcarbazole (PubChem CID 155766144) has the molecular formula C38H31N3 and a molecular weight of 529.69 g/mol. Its IUPAC name is 9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,3,6,8-tetramethylcarbazole.

Molecular Properties

Compound Name9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,3,6,8-tetramethylcarbazole
PubChem CID155766144
Molecular FormulaC38H31N3
Molecular Weight529.69 g/mol
Exact Mass529.25
IUPAC Name9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,3,6,8-tetramethylcarbazole
SMILESCc1cc(C)c2c(c1)c1cc(C)cc(C)c1n2-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C38H31N3/c1-24-19-26(3)36-32(21-24)33-22-25(2)20-27(4)37(33)41(36)31-17-15-30(16-18-31)38-39-34(28-11-7-5-8-12-28)23-35(40-38)29-13-9-6-10-14-29/h5-23H,1-4H3
InChIKeyZPRFWYYUOHJYMW-UHFFFAOYSA-N
XLogP9.81
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.69
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,6-diphenylpyrimidin-2-yl)-17-(1,3,6,8-tetramethylcarbazol-9-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-8,14-dione
CID 164951117
3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730006
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164
11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 155790918
2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 71287081
4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine
CID 138662738
4-[3-(2,6-diphenyl-4-pyridinyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(4-methylphenyl)-2-phenylpyrimidine
CID 135243270
3-carbazol-9-yl-9-[4-[2-(2-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole;3-carbazol-9-yl-9-[4-[2-(3-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole;3-carbazol-9-yl-9-[4-[2-(4-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole;9-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-3,6-dimethylcarbazole
CID 161152563
3-carbazol-9-yl-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730416
9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 58971465
9-[4-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-3,6-bis(3-methylcarbazol-9-yl)carbazole
CID 126730044
9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 161070492

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,3,6,8-tetramethylcarbazole?
The IUPAC name of 9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,3,6,8-tetramethylcarbazole (CID 155766144) is 9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,3,6,8-tetramethylcarbazole.
What is the SMILES notation for 9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,3,6,8-tetramethylcarbazole?
The canonical SMILES for 9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,3,6,8-tetramethylcarbazole is Cc1cc(C)c2c(c1)c1cc(C)cc(C)c1n2-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,3,6,8-tetramethylcarbazole?
The InChIKey is ZPRFWYYUOHJYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31N3/c1-24-19-26(3)36-32(21-24)33-22-25(2)20-27(4)37(33)41(36)31-17-15-30(16-18-31)38-39-34(28-11-7-5-8-12-28)23-35(40-38)29-13-9-6-10-14-29/h5-23H,1-4H3.
What are the key properties of 9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,3,6,8-tetramethylcarbazole?
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,3,6,8-tetramethylcarbazole has a molecular weight of 529.69 g/mol, XLogP of 9.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,3,6,8-tetramethylcarbazole is sourced from PubChem (CID 155766144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).