3-[1-(2,4-diphenylphenyl)indol-5-yl]-9-phenylcarbazole

C44H30N2 — CID 129290112

IUPAC3-[1-(2,4-diphenylphenyl)indol-5-yl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(-n3ccc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C44H30N2/c1-4-12-31(13-5-1)34-21-24-42(39(29-34)32-14-6-2-7-15-32)45-27-26-36-28-33(20-23-41(36)45)35-22-25-44-40(30-35)38-18-10-11-19-43(38)46(44)37-16-8-3-9-17-37/h1-30H
InChIKeyYZHIKUOZKIMTBZ-UHFFFAOYSA-N
MW586.74 g/mol
LogP11.73
Rot. Bonds5

About 3-[1-(2,4-diphenylphenyl)indol-5-yl]-9-phenylcarbazole

3-[1-(2,4-diphenylphenyl)indol-5-yl]-9-phenylcarbazole (PubChem CID 129290112) has the molecular formula C44H30N2 and a molecular weight of 586.74 g/mol. Its IUPAC name is 3-[1-(2,4-diphenylphenyl)indol-5-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[1-(2,4-diphenylphenyl)indol-5-yl]-9-phenylcarbazole
PubChem CID129290112
Molecular FormulaC44H30N2
Molecular Weight586.74 g/mol
Exact Mass586.24
IUPAC Name3-[1-(2,4-diphenylphenyl)indol-5-yl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(-n3ccc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C44H30N2/c1-4-12-31(13-5-1)34-21-24-42(39(29-34)32-14-6-2-7-15-32)45-27-26-36-28-33(20-23-41(36)45)35-22-25-44-40(30-35)38-18-10-11-19-43(38)46(44)37-16-8-3-9-17-37/h1-30H
InChIKeyYZHIKUOZKIMTBZ-UHFFFAOYSA-N
XLogP11.73
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.74
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole
CID 118315232
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
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-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(4-methyl-3-phenylphenyl)-9-phenylcarbazole
CID 123587918

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-diphenylphenyl)indol-5-yl]-9-phenylcarbazole?
The IUPAC name of 3-[1-(2,4-diphenylphenyl)indol-5-yl]-9-phenylcarbazole (CID 129290112) is 3-[1-(2,4-diphenylphenyl)indol-5-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[1-(2,4-diphenylphenyl)indol-5-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[1-(2,4-diphenylphenyl)indol-5-yl]-9-phenylcarbazole is c1ccc(-c2ccc(-n3ccc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 3-[1-(2,4-diphenylphenyl)indol-5-yl]-9-phenylcarbazole?
The InChIKey is YZHIKUOZKIMTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2/c1-4-12-31(13-5-1)34-21-24-42(39(29-34)32-14-6-2-7-15-32)45-27-26-36-28-33(20-23-41(36)45)35-22-25-44-40(30-35)38-18-10-11-19-43(38)46(44)37-16-8-3-9-17-37/h1-30H.
What are the key properties of 3-[1-(2,4-diphenylphenyl)indol-5-yl]-9-phenylcarbazole?
3-[1-(2,4-diphenylphenyl)indol-5-yl]-9-phenylcarbazole has a molecular weight of 586.74 g/mol, XLogP of 11.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-diphenylphenyl)indol-5-yl]-9-phenylcarbazole is sourced from PubChem (CID 129290112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).