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

C44H35N3 — CID 70934601

IUPAC3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole
SMILESCc1cc(C)cc(-c2cc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)nc(-c3cc(C)cc(C)c3)n2)c1
InChIInChI=1S/C44H35N3/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/h5-27H,1-4H3
InChIKeySEEQLWFKRSNKDZ-UHFFFAOYSA-N
MW605.79 g/mol
LogP11.48
Rot. Bonds5

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

3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole (PubChem CID 70934601) has the molecular formula C44H35N3 and a molecular weight of 605.79 g/mol. Its IUPAC name is 3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole.

Molecular Properties

Compound Name3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole
PubChem CID70934601
Molecular FormulaC44H35N3
Molecular Weight605.79 g/mol
Exact Mass605.28
IUPAC Name3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole
SMILESCc1cc(C)cc(-c2cc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)nc(-c3cc(C)cc(C)c3)n2)c1
InChIInChI=1S/C44H35N3/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/h5-27H,1-4H3
InChIKeySEEQLWFKRSNKDZ-UHFFFAOYSA-N
XLogP11.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.79
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-[4-[6-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 58527032
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
9-[3-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole
CID 88530509
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
9-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 155462602
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
3,6-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-9-phenylcarbazole
CID 170283637
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
9-[2-(3-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(3,5-dimethylphenyl)carbazole
CID 155761359
9-[3-[6-[3-(3,6-dimethylcarbazol-9-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3,6-dimethylcarbazole;2-[3-(3,5-dimethylphenyl)phenyl]-6-phenyl-4-(4-phenylphenyl)pyridine;9-[3-[6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-3,6-diphenylcarbazole
CID 159871891

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole?
The IUPAC name of 3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole (CID 70934601) is 3-[2,6-bis(3,5-dimethylphenyl)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?
The canonical SMILES for 3-[2,6-bis(3,5-dimethylphenyl)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.
What is the InChIKey of 3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole?
The InChIKey is SEEQLWFKRSNKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N3/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/h5-27H,1-4H3.
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]-6,9-diphenylcarbazole has a molecular weight of 605.79 g/mol, XLogP of 11.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 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 is sourced from PubChem (CID 70934601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).