3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole;3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-9-(4-phenylphenyl)carbazole;3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole

C130H101N9 — CID 159928100

IUPAC3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole;3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-9-(4-phenylphenyl)carbazole;3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole
SMILESCc1cc(C)cc(-c2cc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)nc(-c3cc(C)cc(C)c3)n2)c1.Cc1cc(C)cc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)nc(-c3cc(C)cc(C)c3)n2)c1.Cc1ccc(-c2cc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)nc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/2C44H35N3.C42H31N3/c1-28-19-29(2)22-35(21-28)41-27-40(45-44(46-41)36-23-30(3)20-31(4)24-36)34-16-18-43-39(26-34)38-25-33(32-11-7-5-8-12-32)15-17-42(38)47(43)37-13-9-6-10-14-37;1-28-20-29(2)23-35(22-28)41-27-40(45-44(46-41)36-24-30(3)21-31(4)25-36)34-16-19-43-39(26-34)38-12-8-9-13-42(38)47(43)37-17-14-33(15-18-37)32-10-6-5-7-11-32;1-28-13-17-31(18-14-28)38-27-39(44-42(43-38)32-19-15-29(2)16-20-32)34-22-24-41-37(26-34)36-25-33(30-9-5-3-6-10-30)21-23-40(36)45(41)35-11-7-4-8-12-35/h2*5-27H,1-4H3;3-27H,1-2H3
InChIKeyNZGYRGWPBWSUCN-UHFFFAOYSA-N
MW1789.30 g/mol
LogP33.81
Rot. Bonds15

About 3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole;3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-9-(4-phenylphenyl)carbazole;3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole

3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole;3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-9-(4-phenylphenyl)carbazole;3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole (PubChem CID 159928100) has the molecular formula C130H101N9 and a molecular weight of 1789.30 g/mol. Its IUPAC name is 3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole;3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-9-(4-phenylphenyl)carbazole;3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole.

Molecular Properties

Compound Name3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole;3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-9-(4-phenylphenyl)carbazole;3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole
PubChem CID159928100
Molecular FormulaC130H101N9
Molecular Weight1789.30 g/mol
Exact Mass1787.82
IUPAC Name3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole;3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-9-(4-phenylphenyl)carbazole;3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole
SMILESCc1cc(C)cc(-c2cc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)nc(-c3cc(C)cc(C)c3)n2)c1.Cc1cc(C)cc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)nc(-c3cc(C)cc(C)c3)n2)c1.Cc1ccc(-c2cc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)nc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/2C44H35N3.C42H31N3/c1-28-19-29(2)22-35(21-28)41-27-40(45-44(46-41)36-23-30(3)20-31(4)24-36)34-16-18-43-39(26-34)38-25-33(32-11-7-5-8-12-32)15-17-42(38)47(43)37-13-9-6-10-14-37;1-28-20-29(2)23-35(22-28)41-27-40(45-44(46-41)36-24-30(3)21-31(4)25-36)34-16-19-43-39(26-34)38-12-8-9-13-42(38)47(43)37-17-14-33(15-18-37)32-10-6-5-7-11-32;1-28-13-17-31(18-14-28)38-27-39(44-42(43-38)32-19-15-29(2)16-20-32)34-22-24-41-37(26-34)36-25-33(30-9-5-3-6-10-30)21-23-40(36)45(41)35-11-7-4-8-12-35/h2*5-27H,1-4H3;3-27H,1-2H3
InChIKeyNZGYRGWPBWSUCN-UHFFFAOYSA-N
XLogP33.81
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms139
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001789.30
LogP ≤ 533.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole;3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-9-(4-phenylphenyl)carbazole;3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole with MolForge

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Related Compounds

3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole
CID 70934601
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
2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 71287081
3-[4-[6-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 58527032
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164
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
3-[3-carbazol-9-yl-5-[6-[3-(4-carbazol-9-ylphenyl)phenyl]-2-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole;3-[3-carbazol-9-yl-5-[6-[3-(4-carbazol-9-ylphenyl)phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole;3-[3-carbazol-9-yl-5-[6-[3-(4-carbazol-9-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 157469186
[4-[3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 161052102
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 170096012
3-carbazol-9-yl-9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole
CID 162231924
3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730006

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole;3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-9-(4-phenylphenyl)carbazole;3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole?
The IUPAC name of 3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole;3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-9-(4-phenylphenyl)carbazole;3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole (CID 159928100) is 3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole;3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-9-(4-phenylphenyl)carbazole;3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole.
What is the SMILES notation for 3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole;3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-9-(4-phenylphenyl)carbazole;3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole?
The canonical SMILES for 3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole;3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-9-(4-phenylphenyl)carbazole;3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole is Cc1cc(C)cc(-c2cc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)nc(-c3cc(C)cc(C)c3)n2)c1.Cc1cc(C)cc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)nc(-c3cc(C)cc(C)c3)n2)c1.Cc1ccc(-c2cc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)nc(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole;3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-9-(4-phenylphenyl)carbazole;3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole?
The InChIKey is NZGYRGWPBWSUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H35N3.C42H31N3/c1-28-19-29(2)22-35(21-28)41-27-40(45-44(46-41)36-23-30(3)20-31(4)24-36)34-16-18-43-39(26-34)38-25-33(32-11-7-5-8-12-32)15-17-42(38)47(43)37-13-9-6-10-14-37;1-28-20-29(2)23-35(22-28)41-27-40(45-44(46-41)36-24-30(3)21-31(4)25-36)34-16-19-43-39(26-34)38-12-8-9-13-42(38)47(43)37-17-14-33(15-18-37)32-10-6-5-7-11-32;1-28-13-17-31(18-14-28)38-27-39(44-42(43-38)32-19-15-29(2)16-20-32)34-22-24-41-37(26-34)36-25-33(30-9-5-3-6-10-30)21-23-40(36)45(41)35-11-7-4-8-12-35/h2*5-27H,1-4H3;3-27H,1-2H3.
What are the key properties of 3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole;3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-9-(4-phenylphenyl)carbazole;3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole?
3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole;3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-9-(4-phenylphenyl)carbazole;3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole has a molecular weight of 1789.30 g/mol, XLogP of 33.81, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole;3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-9-(4-phenylphenyl)carbazole;3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole is sourced from PubChem (CID 159928100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).