9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-[3-methyl-4-(2-methylphenyl)phenyl]carbazole

C48H35N3 — CID 118034718

IUPAC9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-[3-methyl-4-(2-methylphenyl)phenyl]carbazole
SMILESCc1ccccc1-c1ccc(-c2cccc3c2c2ccccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1C
InChIInChI=1S/C48H35N3/c1-32-14-9-10-19-39(32)40-29-26-37(30-33(40)2)41-21-13-23-46-47(41)42-20-11-12-22-45(42)51(46)38-27-24-35(25-28-38)44-31-43(34-15-5-3-6-16-34)49-48(50-44)36-17-7-4-8-18-36/h3-31H,1-2H3
InChIKeyAIVDPEDQWGGQCF-UHFFFAOYSA-N
MW653.83 g/mol
LogP12.53
Rot. Bonds6

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

9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-[3-methyl-4-(2-methylphenyl)phenyl]carbazole (PubChem CID 118034718) has the molecular formula C48H35N3 and a molecular weight of 653.83 g/mol. Its IUPAC name is 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-[3-methyl-4-(2-methylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-[3-methyl-4-(2-methylphenyl)phenyl]carbazole
PubChem CID118034718
Molecular FormulaC48H35N3
Molecular Weight653.83 g/mol
Exact Mass653.28
IUPAC Name9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-[3-methyl-4-(2-methylphenyl)phenyl]carbazole
SMILESCc1ccccc1-c1ccc(-c2cccc3c2c2ccccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1C
InChIInChI=1S/C48H35N3/c1-32-14-9-10-19-39(32)40-29-26-37(30-33(40)2)41-21-13-23-46-47(41)42-20-11-12-22-45(42)51(46)38-27-24-35(25-28-38)44-31-43(34-15-5-3-6-16-34)49-48(50-44)36-17-7-4-8-18-36/h3-31H,1-2H3
InChIKeyAIVDPEDQWGGQCF-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-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 118528300
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 121306271
4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 157250623
6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 157443985
9-[3-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 138731899
3-carbazol-9-yl-9-[4-[2-(2-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 126730487
3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-(2-methylphenyl)carbazole
CID 121306297
2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 157082857
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-phenyl-3-[9-phenyl-7-[4-[6-phenyl-2-[3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 155039415
9-phenyl-4-[3-[2-phenyl-6-[11-[2-phenyl-6-[3-(9-phenylcarbazol-4-yl)phenyl]pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]carbazole
CID 165151390
1-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole;1-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 158026928
4-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole
CID 137470533

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-[3-methyl-4-(2-methylphenyl)phenyl]carbazole?
The IUPAC name of 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-[3-methyl-4-(2-methylphenyl)phenyl]carbazole (CID 118034718) is 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-[3-methyl-4-(2-methylphenyl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-[3-methyl-4-(2-methylphenyl)phenyl]carbazole?
The canonical SMILES for 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-[3-methyl-4-(2-methylphenyl)phenyl]carbazole is Cc1ccccc1-c1ccc(-c2cccc3c2c2ccccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1C.
What is the InChIKey of 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-[3-methyl-4-(2-methylphenyl)phenyl]carbazole?
The InChIKey is AIVDPEDQWGGQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N3/c1-32-14-9-10-19-39(32)40-29-26-37(30-33(40)2)41-21-13-23-46-47(41)42-20-11-12-22-45(42)51(46)38-27-24-35(25-28-38)44-31-43(34-15-5-3-6-16-34)49-48(50-44)36-17-7-4-8-18-36/h3-31H,1-2H3.
What are the key properties of 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-[3-methyl-4-(2-methylphenyl)phenyl]carbazole?
9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-[3-methyl-4-(2-methylphenyl)phenyl]carbazole 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-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-[3-methyl-4-(2-methylphenyl)phenyl]carbazole is sourced from PubChem (CID 118034718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).