9-[4-[3-(2,4,5-triphenylimidazol-1-yl)phenyl]phenyl]carbazole

C45H31N3 — CID 58827953

IUPAC9-[4-[3-(2,4,5-triphenylimidazol-1-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)n(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)c2-c2ccccc2)cc1
InChIInChI=1S/C45H31N3/c1-4-15-33(16-5-1)43-44(34-17-6-2-7-18-34)48(45(46-43)35-19-8-3-9-20-35)38-22-14-21-36(31-38)32-27-29-37(30-28-32)47-41-25-12-10-23-39(41)40-24-11-13-26-42(40)47/h1-31H
InChIKeyJNKXOZZXJNHSEF-UHFFFAOYSA-N
MW613.76 g/mol
LogP11.64
Rot. Bonds6

About 9-[4-[3-(2,4,5-triphenylimidazol-1-yl)phenyl]phenyl]carbazole

9-[4-[3-(2,4,5-triphenylimidazol-1-yl)phenyl]phenyl]carbazole (PubChem CID 58827953) has the molecular formula C45H31N3 and a molecular weight of 613.76 g/mol. Its IUPAC name is 9-[4-[3-(2,4,5-triphenylimidazol-1-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[3-(2,4,5-triphenylimidazol-1-yl)phenyl]phenyl]carbazole
PubChem CID58827953
Molecular FormulaC45H31N3
Molecular Weight613.76 g/mol
Exact Mass613.25
IUPAC Name9-[4-[3-(2,4,5-triphenylimidazol-1-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)n(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)c2-c2ccccc2)cc1
InChIInChI=1S/C45H31N3/c1-4-15-33(16-5-1)43-44(34-17-6-2-7-18-34)48(45(46-43)35-19-8-3-9-20-35)38-22-14-21-36(31-38)32-27-29-37(30-28-32)47-41-25-12-10-23-39(41)40-24-11-13-26-42(40)47/h1-31H
InChIKeyJNKXOZZXJNHSEF-UHFFFAOYSA-N
XLogP11.64
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-phenylphenyl)-3,6-bis(1,4,5-triphenylimidazol-2-yl)carbazole
CID 141396920
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(1,4,5-triphenylimidazol-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]carbazole
CID 157404185
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 155241336
7-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134168520
2-(3-carbazol-9-ylphenyl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 145151686
5-[4-(9-phenylcarbazol-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168715
7-phenyl-5-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-b]carbazole
CID 134168539
2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-(3-phenylphenyl)carbazole;2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165058453
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-(2,4,5-triphenylimidazol-1-yl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[3-(2,4,5-triphenylimidazol-1-yl)phenyl]phenyl]carbazole (CID 58827953) is 9-[4-[3-(2,4,5-triphenylimidazol-1-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[3-(2,4,5-triphenylimidazol-1-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[3-(2,4,5-triphenylimidazol-1-yl)phenyl]phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)n(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)c2-c2ccccc2)cc1.
What is the InChIKey of 9-[4-[3-(2,4,5-triphenylimidazol-1-yl)phenyl]phenyl]carbazole?
The InChIKey is JNKXOZZXJNHSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3/c1-4-15-33(16-5-1)43-44(34-17-6-2-7-18-34)48(45(46-43)35-19-8-3-9-20-35)38-22-14-21-36(31-38)32-27-29-37(30-28-32)47-41-25-12-10-23-39(41)40-24-11-13-26-42(40)47/h1-31H.
What are the key properties of 9-[4-[3-(2,4,5-triphenylimidazol-1-yl)phenyl]phenyl]carbazole?
9-[4-[3-(2,4,5-triphenylimidazol-1-yl)phenyl]phenyl]carbazole has a molecular weight of 613.76 g/mol, XLogP of 11.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-(2,4,5-triphenylimidazol-1-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 58827953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).