9-phenyl-4-[4-(3-phenylphenyl)carbazol-9-yl]carbazole

C42H28N2 — CID 171458457

IUPAC9-phenyl-4-[4-(3-phenylphenyl)carbazol-9-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc4c3c3ccccc3n4-c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C42H28N2/c1-3-14-29(15-4-1)30-16-11-17-31(28-30)33-22-12-25-38-41(33)34-20-7-10-24-37(34)44(38)40-27-13-26-39-42(40)35-21-8-9-23-36(35)43(39)32-18-5-2-6-19-32/h1-28H
InChIKeyVNNWIZLXQBQBIZ-UHFFFAOYSA-N
MW560.70 g/mol
LogP11.21
Rot. Bonds4

About 9-phenyl-4-[4-(3-phenylphenyl)carbazol-9-yl]carbazole

9-phenyl-4-[4-(3-phenylphenyl)carbazol-9-yl]carbazole (PubChem CID 171458457) has the molecular formula C42H28N2 and a molecular weight of 560.70 g/mol. Its IUPAC name is 9-phenyl-4-[4-(3-phenylphenyl)carbazol-9-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-4-[4-(3-phenylphenyl)carbazol-9-yl]carbazole
PubChem CID171458457
Molecular FormulaC42H28N2
Molecular Weight560.70 g/mol
Exact Mass560.23
IUPAC Name9-phenyl-4-[4-(3-phenylphenyl)carbazol-9-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc4c3c3ccccc3n4-c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C42H28N2/c1-3-14-29(15-4-1)30-16-11-17-31(28-30)33-22-12-25-38-41(33)34-20-7-10-24-37(34)44(38)40-27-13-26-39-42(40)35-21-8-9-23-36(35)43(39)32-18-5-2-6-19-32/h1-28H
InChIKeyVNNWIZLXQBQBIZ-UHFFFAOYSA-N
XLogP11.21
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.70
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-phenylphenyl)-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
CID 171457959
4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 166660662
4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037163
9-phenyl-4-[3-[7-[3-(9-phenylcarbazol-4-yl)phenyl]triphenylen-2-yl]phenyl]carbazole
CID 118490695
9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
CID 138474938
4-(3-phenylphenyl)-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 171458634
4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659856
4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole
CID 170386628
3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167219651
5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319559
3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole
CID 139319565
5-phenyl-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847706

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-[4-(3-phenylphenyl)carbazol-9-yl]carbazole?
The IUPAC name of 9-phenyl-4-[4-(3-phenylphenyl)carbazol-9-yl]carbazole (CID 171458457) is 9-phenyl-4-[4-(3-phenylphenyl)carbazol-9-yl]carbazole.
What is the SMILES notation for 9-phenyl-4-[4-(3-phenylphenyl)carbazol-9-yl]carbazole?
The canonical SMILES for 9-phenyl-4-[4-(3-phenylphenyl)carbazol-9-yl]carbazole is c1ccc(-c2cccc(-c3cccc4c3c3ccccc3n4-c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of 9-phenyl-4-[4-(3-phenylphenyl)carbazol-9-yl]carbazole?
The InChIKey is VNNWIZLXQBQBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2/c1-3-14-29(15-4-1)30-16-11-17-31(28-30)33-22-12-25-38-41(33)34-20-7-10-24-37(34)44(38)40-27-13-26-39-42(40)35-21-8-9-23-36(35)43(39)32-18-5-2-6-19-32/h1-28H.
What are the key properties of 9-phenyl-4-[4-(3-phenylphenyl)carbazol-9-yl]carbazole?
9-phenyl-4-[4-(3-phenylphenyl)carbazol-9-yl]carbazole has a molecular weight of 560.70 g/mol, XLogP of 11.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-4-[4-(3-phenylphenyl)carbazol-9-yl]carbazole is sourced from PubChem (CID 171458457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).