3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole

C57H38N4 — CID 118067272

IUPAC3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc(-c7ccccc7)c7ccccc7n6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C57H38N4/c1-37-19-29-44(30-20-37)60-52-17-9-6-13-46(52)49-35-42(27-33-54(49)60)38-21-23-39(24-22-38)43-28-34-55-50(36-43)47-14-7-10-18-53(47)61(55)45-31-25-41(26-32-45)57-58-51-16-8-5-15-48(51)56(59-57)40-11-3-2-4-12-40/h2-36H,1H3
InChIKeyVFNDKNNXUGMCTO-UHFFFAOYSA-N
MW778.96 g/mol
LogP14.80
Rot. Bonds6

About 3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole

3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole (PubChem CID 118067272) has the molecular formula C57H38N4 and a molecular weight of 778.96 g/mol. Its IUPAC name is 3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
PubChem CID118067272
Molecular FormulaC57H38N4
Molecular Weight778.96 g/mol
Exact Mass778.31
IUPAC Name3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc(-c7ccccc7)c7ccccc7n6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C57H38N4/c1-37-19-29-44(30-20-37)60-52-17-9-6-13-46(52)49-35-42(27-33-54(49)60)38-21-23-39(24-22-38)43-28-34-55-50(36-43)47-14-7-10-18-53(47)61(55)45-31-25-41(26-32-45)57-58-51-16-8-5-15-48(51)56(59-57)40-11-3-2-4-12-40/h2-36H,1H3
InChIKeyVFNDKNNXUGMCTO-UHFFFAOYSA-N
XLogP14.80
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.96
LogP ≤ 514.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129286
3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole
CID 145159167
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 67701976
N,N-diphenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]aniline;3-[9-[4-(4-methylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole
CID 161499770
3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole
CID 118103152
3-[9-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 155120354
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[3-[2-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 122677106
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 121444205
9-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-carbazol-9-yl-7-(3,6-diphenylcarbazol-9-yl)carbazole
CID 88878767
2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
CID 122524404

Frequently Asked Questions

What is the IUPAC name of 3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The IUPAC name of 3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole (CID 118067272) is 3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The canonical SMILES for 3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole is Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc(-c7ccccc7)c7ccccc7n6)cc5)cc4)ccc32)cc1.
What is the InChIKey of 3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The InChIKey is VFNDKNNXUGMCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N4/c1-37-19-29-44(30-20-37)60-52-17-9-6-13-46(52)49-35-42(27-33-54(49)60)38-21-23-39(24-22-38)43-28-34-55-50(36-43)47-14-7-10-18-53(47)61(55)45-31-25-41(26-32-45)57-58-51-16-8-5-15-48(51)56(59-57)40-11-3-2-4-12-40/h2-36H,1H3.
What are the key properties of 3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole has a molecular weight of 778.96 g/mol, XLogP of 14.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole is sourced from PubChem (CID 118067272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).