9-[3-methyl-6-[3-(4-phenylphenyl)phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]carbazole

C35H29N3 — CID 90076456

About 9-[3-methyl-6-[3-(4-phenylphenyl)phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]carbazole

9-[3-methyl-6-[3-(4-phenylphenyl)phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]carbazole (PubChem CID 90076456) has the molecular formula C35H29N3 and a molecular weight of 491.64 g/mol. Its IUPAC name is 9-[3-methyl-6-[3-(4-phenylphenyl)phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[3-methyl-6-[3-(4-phenylphenyl)phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]carbazole
• PubChem CID: 90076456
• Molecular Formula: C35H29N3
• Molecular Weight: 491.64 g/mol
• Exact Mass: 491.24
• IUPAC Name: 9-[3-methyl-6-[3-(4-phenylphenyl)phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]carbazole
• SMILES: CN1C=CC(c2cccc(-c3ccc(-c4ccccc4)cc3)c2)NC1n1c2ccccc2c2ccccc21
• InChI: InChI=1S/C35H29N3/c1-37-23-22-32(36-35(37)38-33-16-7-5-14-30(33)31-15-6-8-17-34(31)38)29-13-9-12-28(24-29)27-20-18-26(19-21-27)25-10-3-2-4-11-25/h2-24,32,35-36H,1H3
• InChIKey: OZARPWLUBZZBPJ-UHFFFAOYSA-N
• XLogP: 8.37
• TPSA: 20.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.64
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-[3-methyl-6-[3-(4-phenylphenyl)phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]carbazole?

The IUPAC name of 9-[3-methyl-6-[3-(4-phenylphenyl)phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]carbazole (CID 90076456) is 9-[3-methyl-6-[3-(4-phenylphenyl)phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]carbazole.

What is the SMILES notation for 9-[3-methyl-6-[3-(4-phenylphenyl)phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]carbazole?

The canonical SMILES for 9-[3-methyl-6-[3-(4-phenylphenyl)phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]carbazole is CN1C=CC(c2cccc(-c3ccc(-c4ccccc4)cc3)c2)NC1n1c2ccccc2c2ccccc21.

What is the InChIKey of 9-[3-methyl-6-[3-(4-phenylphenyl)phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]carbazole?

The InChIKey is OZARPWLUBZZBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N3/c1-37-23-22-32(36-35(37)38-33-16-7-5-14-30(33)31-15-6-8-17-34(31)38)29-13-9-12-28(24-29)27-20-18-26(19-21-27)25-10-3-2-4-11-25/h2-24,32,35-36H,1H3.

What are the key properties of 9-[3-methyl-6-[3-(4-phenylphenyl)phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]carbazole?

9-[3-methyl-6-[3-(4-phenylphenyl)phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]carbazole has a molecular weight of 491.64 g/mol, XLogP of 8.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-methyl-6-[3-(4-phenylphenyl)phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]carbazole is sourced from PubChem (CID 90076456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).