9-[4-[2-methyl-3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole

C48H35N3 — CID 142551202

IUPAC9-[4-[2-methyl-3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole
SMILESCc1c(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2)cccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)c1C
InChIInChI=1S/C48H35N3/c1-32-40(22-14-23-41(32)47-33(2)46(36-17-8-4-9-18-36)49-48(50-47)37-19-10-5-11-20-37)35-25-28-39(29-26-35)51-44-24-13-12-21-42(44)43-31-38(27-30-45(43)51)34-15-6-3-7-16-34/h3-31H,1-2H3
InChIKeyIHKYGBIYNPJEDL-UHFFFAOYSA-N
MW653.83 g/mol
LogP12.53
Rot. Bonds6

About 9-[4-[2-methyl-3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole

9-[4-[2-methyl-3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole (PubChem CID 142551202) has the molecular formula C48H35N3 and a molecular weight of 653.83 g/mol. Its IUPAC name is 9-[4-[2-methyl-3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[4-[2-methyl-3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole
PubChem CID142551202
Molecular FormulaC48H35N3
Molecular Weight653.83 g/mol
Exact Mass653.28
IUPAC Name9-[4-[2-methyl-3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole
SMILESCc1c(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2)cccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)c1C
InChIInChI=1S/C48H35N3/c1-32-40(22-14-23-41(32)47-33(2)46(36-17-8-4-9-18-36)49-48(50-47)37-19-10-5-11-20-37)35-25-28-39(29-26-35)51-44-24-13-12-21-42(44)43-31-38(27-30-45(43)51)34-15-6-3-7-16-34/h3-31H,1-2H3
InChIKeyIHKYGBIYNPJEDL-UHFFFAOYSA-N
XLogP12.53
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 512.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 155120354
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-9-phenylcarbazole
CID 122224307
3-[9-[3-[5-methyl-4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 144920561
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[3-[4-[3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-6-phenylcarbazole
CID 162172133
3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067272
3-[2-methyl-3-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 89460166
3-[9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511500
3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole
CID 145159167
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
9-[4-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole
CID 101429712
3-[9-[4-[4-(2,5-diphenylphenyl)-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134236859

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-methyl-3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole?
The IUPAC name of 9-[4-[2-methyl-3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole (CID 142551202) is 9-[4-[2-methyl-3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole.
What is the SMILES notation for 9-[4-[2-methyl-3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole?
The canonical SMILES for 9-[4-[2-methyl-3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole is Cc1c(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2)cccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)c1C.
What is the InChIKey of 9-[4-[2-methyl-3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole?
The InChIKey is IHKYGBIYNPJEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N3/c1-32-40(22-14-23-41(32)47-33(2)46(36-17-8-4-9-18-36)49-48(50-47)37-19-10-5-11-20-37)35-25-28-39(29-26-35)51-44-24-13-12-21-42(44)43-31-38(27-30-45(43)51)34-15-6-3-7-16-34/h3-31H,1-2H3.
What are the key properties of 9-[4-[2-methyl-3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole?
9-[4-[2-methyl-3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole has a molecular weight of 653.83 g/mol, XLogP of 12.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-methyl-3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole is sourced from PubChem (CID 142551202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).