9-(4-cyclohepta-1,3,6-trien-1-yl-6-phenylpyrimidin-2-yl)-4-methylcarbazole;ethane

C32H29N3 — CID 144884372

IUPAC9-(4-cyclohepta-1,3,6-trien-1-yl-6-phenylpyrimidin-2-yl)-4-methylcarbazole;ethane
SMILESCC.Cc1cccc2c1c1ccccc1n2-c1nc(C2=CC=CCC=C2)cc(-c2ccccc2)n1
InChIInChI=1S/C30H23N3.C2H6/c1-21-12-11-19-28-29(21)24-17-9-10-18-27(24)33(28)30-31-25(22-13-5-2-3-6-14-22)20-26(32-30)23-15-7-4-8-16-23;1-2/h2,4-20H,3H2,1H3;1-2H3
InChIKeyPRQAUXGZYQBPLZ-UHFFFAOYSA-N
MW455.61 g/mol
LogP8.47
Rot. Bonds3

About 9-(4-cyclohepta-1,3,6-trien-1-yl-6-phenylpyrimidin-2-yl)-4-methylcarbazole;ethane

9-(4-cyclohepta-1,3,6-trien-1-yl-6-phenylpyrimidin-2-yl)-4-methylcarbazole;ethane (PubChem CID 144884372) has the molecular formula C32H29N3 and a molecular weight of 455.61 g/mol. Its IUPAC name is 9-(4-cyclohepta-1,3,6-trien-1-yl-6-phenylpyrimidin-2-yl)-4-methylcarbazole;ethane.

Molecular Properties

Compound Name9-(4-cyclohepta-1,3,6-trien-1-yl-6-phenylpyrimidin-2-yl)-4-methylcarbazole;ethane
PubChem CID144884372
Molecular FormulaC32H29N3
Molecular Weight455.61 g/mol
Exact Mass455.24
IUPAC Name9-(4-cyclohepta-1,3,6-trien-1-yl-6-phenylpyrimidin-2-yl)-4-methylcarbazole;ethane
SMILESCC.Cc1cccc2c1c1ccccc1n2-c1nc(C2=CC=CCC=C2)cc(-c2ccccc2)n1
InChIInChI=1S/C30H23N3.C2H6/c1-21-12-11-19-28-29(21)24-17-9-10-18-27(24)33(28)30-31-25(22-13-5-2-3-6-14-22)20-26(32-30)23-15-7-4-8-16-23;1-2/h2,4-20H,3H2,1H3;1-2H3
InChIKeyPRQAUXGZYQBPLZ-UHFFFAOYSA-N
XLogP8.47
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.61
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-(4-cyclohepta-1,3,6-trien-1-yl-6-phenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;ethane
CID 143865126
9-(4-carbazol-9-ylphenyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140937291
9,14-bis(4,6-diphenylpyrimidin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 70851555
9-(2-carbazol-9-yl-6-tetraphenylen-2-ylpyrimidin-4-yl)-4-methylcarbazole
CID 170198443
9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-9-phenylcarbazole
CID 157253653
6-tert-butyl-9-[4-(4-cyclohepta-1,3,6-trien-1-yl-6-phenylpyrimidin-2-yl)-2,6-diphenylphenyl]carbazole-3-carbonitrile
CID 167149321
9-(4,6-diphenylpyrimidin-2-yl)-3,6-bis(3-phenylphenyl)carbazole
CID 123639414
9-(4,6-diphenylpyrimidin-2-yl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 89017184
7-(4,6-diphenylpyrimidin-2-yl)pyrido[2,3-c]carbazole
CID 70836942
5-(4,6-diphenylpyrimidin-2-yl)-12,12-dimethylindeno[1,2-c]carbazole
CID 66805080
9-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]carbazole
CID 59194567
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-triphenylen-1-ylcarbazole
CID 88559195

Frequently Asked Questions

What is the IUPAC name of 9-(4-cyclohepta-1,3,6-trien-1-yl-6-phenylpyrimidin-2-yl)-4-methylcarbazole;ethane?
The IUPAC name of 9-(4-cyclohepta-1,3,6-trien-1-yl-6-phenylpyrimidin-2-yl)-4-methylcarbazole;ethane (CID 144884372) is 9-(4-cyclohepta-1,3,6-trien-1-yl-6-phenylpyrimidin-2-yl)-4-methylcarbazole;ethane.
What is the SMILES notation for 9-(4-cyclohepta-1,3,6-trien-1-yl-6-phenylpyrimidin-2-yl)-4-methylcarbazole;ethane?
The canonical SMILES for 9-(4-cyclohepta-1,3,6-trien-1-yl-6-phenylpyrimidin-2-yl)-4-methylcarbazole;ethane is CC.Cc1cccc2c1c1ccccc1n2-c1nc(C2=CC=CCC=C2)cc(-c2ccccc2)n1.
What is the InChIKey of 9-(4-cyclohepta-1,3,6-trien-1-yl-6-phenylpyrimidin-2-yl)-4-methylcarbazole;ethane?
The InChIKey is PRQAUXGZYQBPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3.C2H6/c1-21-12-11-19-28-29(21)24-17-9-10-18-27(24)33(28)30-31-25(22-13-5-2-3-6-14-22)20-26(32-30)23-15-7-4-8-16-23;1-2/h2,4-20H,3H2,1H3;1-2H3.
What are the key properties of 9-(4-cyclohepta-1,3,6-trien-1-yl-6-phenylpyrimidin-2-yl)-4-methylcarbazole;ethane?
9-(4-cyclohepta-1,3,6-trien-1-yl-6-phenylpyrimidin-2-yl)-4-methylcarbazole;ethane has a molecular weight of 455.61 g/mol, XLogP of 8.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-cyclohepta-1,3,6-trien-1-yl-6-phenylpyrimidin-2-yl)-4-methylcarbazole;ethane is sourced from PubChem (CID 144884372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).