2-(2-phenyl-9H-carbazol-1-yl)-1-[2-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazole

C54H33N3 — CID 166133949

IUPAC2-(2-phenyl-9H-carbazol-1-yl)-1-[2-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2c(-c3c(-c4ccccc4)ccc4c3[nH]c3ccccc34)ccc3c2-c2c4c(ccc2=N3)=c2ccccc2=N4)cc1
InChIInChI=1S/C54H33N3/c1-3-15-33(16-4-1)35-19-7-8-20-37(35)38-21-9-10-24-41(38)49-44(30-32-47-51(49)52-48(55-47)31-29-43-40-23-12-14-26-46(40)57-54(43)52)50-36(34-17-5-2-6-18-34)27-28-42-39-22-11-13-25-45(39)56-53(42)50/h1-32,56H
InChIKeyLNELJZQBDYKFRN-UHFFFAOYSA-N
MW723.88 g/mol
LogP13.14
Rot. Bonds5

About 2-(2-phenyl-9H-carbazol-1-yl)-1-[2-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazole

2-(2-phenyl-9H-carbazol-1-yl)-1-[2-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazole (PubChem CID 166133949) has the molecular formula C54H33N3 and a molecular weight of 723.88 g/mol. Its IUPAC name is 2-(2-phenyl-9H-carbazol-1-yl)-1-[2-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name2-(2-phenyl-9H-carbazol-1-yl)-1-[2-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazole
PubChem CID166133949
Molecular FormulaC54H33N3
Molecular Weight723.88 g/mol
Exact Mass723.27
IUPAC Name2-(2-phenyl-9H-carbazol-1-yl)-1-[2-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2c(-c3c(-c4ccccc4)ccc4c3[nH]c3ccccc34)ccc3c2-c2c4c(ccc2=N3)=c2ccccc2=N4)cc1
InChIInChI=1S/C54H33N3/c1-3-15-33(16-4-1)35-19-7-8-20-37(35)38-21-9-10-24-41(38)49-44(30-32-47-51(49)52-48(55-47)31-29-43-40-23-12-14-26-46(40)57-54(43)52)50-36(34-17-5-2-6-18-34)27-28-42-39-22-11-13-25-45(39)56-53(42)50/h1-32,56H
InChIKeyLNELJZQBDYKFRN-UHFFFAOYSA-N
XLogP13.14
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.88
LogP ≤ 513.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-1-[2-(2-phenyl-9H-carbazol-1-yl)phenyl]indolo[3,2-c]carbazole
CID 166134906
1,2-bis(2-phenyl-9H-carbazol-1-yl)indolo[3,2-c]carbazole
CID 166135047
1-(2-naphthalen-1-yl-9H-carbazol-1-yl)-2-phenylindolo[3,2-c]carbazole
CID 166135019
2-phenyl-1-(3-phenyl-1H-indol-2-yl)indolo[3,2-c]carbazole
CID 166133853
1-[2-(2-phenylphenyl)phenyl]-2-(4-phenylquinazolin-2-yl)indolo[3,2-c]carbazole
CID 166133828
1-(2,3-dinaphthalen-1-ylphenyl)-2-phenylindolo[3,2-c]carbazole
CID 166134514
2-phenyl-1-[2-(2-phenylphenyl)phenyl]-9H-carbazole
CID 175810987
2-phenyl-9H-carbazol-1-ol
CID 118682381
1-[5-phenyl-6-(2-phenylphenyl)triazin-4-yl]indolo[3,2-c]carbazole
CID 171060205
1-[5-(9H-fluoren-1-yl)-6-phenyltriazin-4-yl]-2-phenylindolo[3,2-c]carbazole
CID 166134637
1-[5,6-diphenyl-1-[3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazol-1-yl]-2H-triazin-4-yl]-3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazole
CID 175869381
1-(5-naphthalen-1-yl-6-phenyltriazin-4-yl)indolo[3,2-c]carbazole
CID 175875644

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-9H-carbazol-1-yl)-1-[2-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 2-(2-phenyl-9H-carbazol-1-yl)-1-[2-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazole (CID 166133949) is 2-(2-phenyl-9H-carbazol-1-yl)-1-[2-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 2-(2-phenyl-9H-carbazol-1-yl)-1-[2-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 2-(2-phenyl-9H-carbazol-1-yl)-1-[2-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazole is c1ccc(-c2ccccc2-c2ccccc2-c2c(-c3c(-c4ccccc4)ccc4c3[nH]c3ccccc34)ccc3c2-c2c4c(ccc2=N3)=c2ccccc2=N4)cc1.
What is the InChIKey of 2-(2-phenyl-9H-carbazol-1-yl)-1-[2-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazole?
The InChIKey is LNELJZQBDYKFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3/c1-3-15-33(16-4-1)35-19-7-8-20-37(35)38-21-9-10-24-41(38)49-44(30-32-47-51(49)52-48(55-47)31-29-43-40-23-12-14-26-46(40)57-54(43)52)50-36(34-17-5-2-6-18-34)27-28-42-39-22-11-13-25-45(39)56-53(42)50/h1-32,56H.
What are the key properties of 2-(2-phenyl-9H-carbazol-1-yl)-1-[2-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazole?
2-(2-phenyl-9H-carbazol-1-yl)-1-[2-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazole has a molecular weight of 723.88 g/mol, XLogP of 13.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-9H-carbazol-1-yl)-1-[2-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 166133949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).