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

C41H31N3 — CID 146339357

IUPAC9-[4-[3-(3-methyl-2,6-diphenyl-2H-pyrimidin-4-yl)phenyl]phenyl]carbazole
SMILESCN1C(c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)=CC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C41H31N3/c1-43-40(28-37(30-13-4-2-5-14-30)42-41(43)31-15-6-3-7-16-31)33-18-12-17-32(27-33)29-23-25-34(26-24-29)44-38-21-10-8-19-35(38)36-20-9-11-22-39(36)44/h2-28,41H,1H3
InChIKeyLXYKCXUNLFDNDN-UHFFFAOYSA-N
MW565.72 g/mol
LogP9.93
Rot. Bonds5

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

9-[4-[3-(3-methyl-2,6-diphenyl-2H-pyrimidin-4-yl)phenyl]phenyl]carbazole (PubChem CID 146339357) has the molecular formula C41H31N3 and a molecular weight of 565.72 g/mol. Its IUPAC name is 9-[4-[3-(3-methyl-2,6-diphenyl-2H-pyrimidin-4-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[3-(3-methyl-2,6-diphenyl-2H-pyrimidin-4-yl)phenyl]phenyl]carbazole
PubChem CID146339357
Molecular FormulaC41H31N3
Molecular Weight565.72 g/mol
Exact Mass565.25
IUPAC Name9-[4-[3-(3-methyl-2,6-diphenyl-2H-pyrimidin-4-yl)phenyl]phenyl]carbazole
SMILESCN1C(c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)=CC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C41H31N3/c1-43-40(28-37(30-13-4-2-5-14-30)42-41(43)31-15-6-3-7-16-31)33-18-12-17-32(27-33)29-23-25-34(26-24-29)44-38-21-10-8-19-35(38)36-20-9-11-22-39(36)44/h2-28,41H,1H3
InChIKeyLXYKCXUNLFDNDN-UHFFFAOYSA-N
XLogP9.93
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.72
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118004609
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159046230
9-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 118595106
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
3-[3-(3,5-diphenylphenyl)phenyl]-9-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 88917356
9-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155156244
9-[4-[4-[4-[4-[3-[4-[4,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 58943409
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 138747135
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-(3-methyl-2,6-diphenyl-2H-pyrimidin-4-yl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[3-(3-methyl-2,6-diphenyl-2H-pyrimidin-4-yl)phenyl]phenyl]carbazole (CID 146339357) is 9-[4-[3-(3-methyl-2,6-diphenyl-2H-pyrimidin-4-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[3-(3-methyl-2,6-diphenyl-2H-pyrimidin-4-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[3-(3-methyl-2,6-diphenyl-2H-pyrimidin-4-yl)phenyl]phenyl]carbazole is CN1C(c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)=CC(c2ccccc2)=NC1c1ccccc1.
What is the InChIKey of 9-[4-[3-(3-methyl-2,6-diphenyl-2H-pyrimidin-4-yl)phenyl]phenyl]carbazole?
The InChIKey is LXYKCXUNLFDNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N3/c1-43-40(28-37(30-13-4-2-5-14-30)42-41(43)31-15-6-3-7-16-31)33-18-12-17-32(27-33)29-23-25-34(26-24-29)44-38-21-10-8-19-35(38)36-20-9-11-22-39(36)44/h2-28,41H,1H3.
What are the key properties of 9-[4-[3-(3-methyl-2,6-diphenyl-2H-pyrimidin-4-yl)phenyl]phenyl]carbazole?
9-[4-[3-(3-methyl-2,6-diphenyl-2H-pyrimidin-4-yl)phenyl]phenyl]carbazole has a molecular weight of 565.72 g/mol, XLogP of 9.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-(3-methyl-2,6-diphenyl-2H-pyrimidin-4-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 146339357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).