9-[4-[4-(2,6-dimethylcyclohex-3-en-1-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole

C42H35N3 — CID 134527772

IUPAC9-[4-[4-(2,6-dimethylcyclohex-3-en-1-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole
SMILESCC1C=CCC(C)C1c1cc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1
InChIInChI=1S/C42H35N3/c1-28-12-10-13-29(2)41(28)38-27-37(33-17-11-16-32(26-33)30-14-4-3-5-15-30)43-42(44-38)31-22-24-34(25-23-31)45-39-20-8-6-18-35(39)36-19-7-9-21-40(36)45/h3-12,14-29,41H,13H2,1-2H3
InChIKeyGOLYSZBQNQQSKT-UHFFFAOYSA-N
MW581.76 g/mol
LogP10.89
Rot. Bonds5

About 9-[4-[4-(2,6-dimethylcyclohex-3-en-1-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole

9-[4-[4-(2,6-dimethylcyclohex-3-en-1-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole (PubChem CID 134527772) has the molecular formula C42H35N3 and a molecular weight of 581.76 g/mol. Its IUPAC name is 9-[4-[4-(2,6-dimethylcyclohex-3-en-1-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-(2,6-dimethylcyclohex-3-en-1-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole
PubChem CID134527772
Molecular FormulaC42H35N3
Molecular Weight581.76 g/mol
Exact Mass581.28
IUPAC Name9-[4-[4-(2,6-dimethylcyclohex-3-en-1-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole
SMILESCC1C=CCC(C)C1c1cc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1
InChIInChI=1S/C42H35N3/c1-28-12-10-13-29(2)41(28)38-27-37(33-17-11-16-32(26-33)30-14-4-3-5-15-30)43-42(44-38)31-22-24-34(25-23-31)45-39-20-8-6-18-35(39)36-19-7-9-21-40(36)45/h3-12,14-29,41H,13H2,1-2H3
InChIKeyGOLYSZBQNQQSKT-UHFFFAOYSA-N
XLogP10.89
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.76
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

9-[4-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163590019
9-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 118901401
9-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 130359579
5-phenyl-11-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-b]carbazole
CID 158156605
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
9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]carbazole;9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 163832529
5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 134438469
9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134242078
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 161004929
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-(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-[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

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(2,6-dimethylcyclohex-3-en-1-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-(2,6-dimethylcyclohex-3-en-1-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole (CID 134527772) is 9-[4-[4-(2,6-dimethylcyclohex-3-en-1-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-(2,6-dimethylcyclohex-3-en-1-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-(2,6-dimethylcyclohex-3-en-1-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole is CC1C=CCC(C)C1c1cc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1.
What is the InChIKey of 9-[4-[4-(2,6-dimethylcyclohex-3-en-1-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole?
The InChIKey is GOLYSZBQNQQSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35N3/c1-28-12-10-13-29(2)41(28)38-27-37(33-17-11-16-32(26-33)30-14-4-3-5-15-30)43-42(44-38)31-22-24-34(25-23-31)45-39-20-8-6-18-35(39)36-19-7-9-21-40(36)45/h3-12,14-29,41H,13H2,1-2H3.
What are the key properties of 9-[4-[4-(2,6-dimethylcyclohex-3-en-1-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole?
9-[4-[4-(2,6-dimethylcyclohex-3-en-1-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole has a molecular weight of 581.76 g/mol, XLogP of 10.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(2,6-dimethylcyclohex-3-en-1-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole is sourced from PubChem (CID 134527772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).