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

C42H28N2 — CID 149208011

IUPAC3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)cc2)cc1
InChIInChI=1S/C42H28N2/c1-2-10-29(11-3-1)30-18-20-31(21-19-30)32-22-24-33(25-23-32)43-41-17-9-6-14-37(41)38-28-34(26-27-42(38)43)44-39-15-7-4-12-35(39)36-13-5-8-16-40(36)44/h1-28H
InChIKeyXFZRMGYWKYMIRJ-UHFFFAOYSA-N
MW560.70 g/mol
LogP11.21
Rot. Bonds4

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

3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole (PubChem CID 149208011) has the molecular formula C42H28N2 and a molecular weight of 560.70 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
PubChem CID149208011
Molecular FormulaC42H28N2
Molecular Weight560.70 g/mol
Exact Mass560.23
IUPAC Name3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)cc2)cc1
InChIInChI=1S/C42H28N2/c1-2-10-29(11-3-1)30-18-20-31(21-19-30)32-22-24-33(25-23-32)43-41-17-9-6-14-37(41)38-28-34(26-27-42(38)43)44-39-15-7-4-12-35(39)36-13-5-8-16-40(36)44/h1-28H
InChIKeyXFZRMGYWKYMIRJ-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

3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole
CID 152852425
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-carbazol-9-yl-9-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 90211361
3-carbazol-9-yl-9-(3-carbazol-9-ylphenyl)carbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(4-phenylphenyl)carbazole;5,7-diphenylindolo[2,3-b]carbazole
CID 159682410
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole
CID 147253407
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole (CID 149208011) is 3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole is c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)cc2)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole?
The InChIKey is XFZRMGYWKYMIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2/c1-2-10-29(11-3-1)30-18-20-31(21-19-30)32-22-24-33(25-23-32)43-41-17-9-6-14-37(41)38-28-34(26-27-42(38)43)44-39-15-7-4-12-35(39)36-13-5-8-16-40(36)44/h1-28H.
What are the key properties of 3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole?
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]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 3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 149208011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).