1-(2,3-dinaphthalen-1-ylphenyl)-2-phenylindolo[3,2-c]carbazole

C50H30N2 — CID 166134514

IUPAC1-(2,3-dinaphthalen-1-ylphenyl)-2-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc3c(c2-c2cccc(-c4cccc5ccccc45)c2-c2cccc4ccccc24)-c2c4c(ccc2=N3)=c2ccccc2=N4)cc1
InChIInChI=1S/C50H30N2/c1-2-13-33(14-3-1)36-27-29-44-48(49-45(51-44)30-28-41-38-21-8-9-26-43(38)52-50(41)49)47(36)42-25-12-24-40(37-22-10-17-31-15-4-6-19-34(31)37)46(42)39-23-11-18-32-16-5-7-20-35(32)39/h1-30H
InChIKeyKDVVGCMODWDVDB-UHFFFAOYSA-N
MW658.80 g/mol
LogP12.14
Rot. Bonds4

About 1-(2,3-dinaphthalen-1-ylphenyl)-2-phenylindolo[3,2-c]carbazole

1-(2,3-dinaphthalen-1-ylphenyl)-2-phenylindolo[3,2-c]carbazole (PubChem CID 166134514) has the molecular formula C50H30N2 and a molecular weight of 658.80 g/mol. Its IUPAC name is 1-(2,3-dinaphthalen-1-ylphenyl)-2-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name1-(2,3-dinaphthalen-1-ylphenyl)-2-phenylindolo[3,2-c]carbazole
PubChem CID166134514
Molecular FormulaC50H30N2
Molecular Weight658.80 g/mol
Exact Mass658.24
IUPAC Name1-(2,3-dinaphthalen-1-ylphenyl)-2-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc3c(c2-c2cccc(-c4cccc5ccccc45)c2-c2cccc4ccccc24)-c2c4c(ccc2=N3)=c2ccccc2=N4)cc1
InChIInChI=1S/C50H30N2/c1-2-13-33(14-3-1)36-27-29-44-48(49-45(51-44)30-28-41-38-21-8-9-26-43(38)52-50(41)49)47(36)42-25-12-24-40(37-22-10-17-31-15-4-6-19-34(31)37)46(42)39-23-11-18-32-16-5-7-20-35(32)39/h1-30H
InChIKeyKDVVGCMODWDVDB-UHFFFAOYSA-N
XLogP12.14
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.80
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-(5-naphthalen-1-yl-6-phenyltriazin-4-yl)indolo[3,2-c]carbazole
CID 175875644
2-phenyl-1-[2-(2-phenyl-9H-carbazol-1-yl)phenyl]indolo[3,2-c]carbazole
CID 166134906
1-[2-(2-phenylphenyl)phenyl]-2-(4-phenylquinazolin-2-yl)indolo[3,2-c]carbazole
CID 166133828
2-(2-phenyl-9H-carbazol-1-yl)-1-[2-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 166133949
1-cinnolin-3-yl-2-phenylindolo[3,2-c]carbazole
CID 166134412
1,2-bis(2-phenyl-9H-carbazol-1-yl)indolo[3,2-c]carbazole
CID 166135047
1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene
CID 173119187
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-quinolin-2-ylindolo[3,2-c]carbazol-1-yl)-2H-triazin-4-yl]-2-naphthalen-1-yl-3-phenylindolo[3,2-c]carbazole
CID 175810993

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dinaphthalen-1-ylphenyl)-2-phenylindolo[3,2-c]carbazole?
The IUPAC name of 1-(2,3-dinaphthalen-1-ylphenyl)-2-phenylindolo[3,2-c]carbazole (CID 166134514) is 1-(2,3-dinaphthalen-1-ylphenyl)-2-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 1-(2,3-dinaphthalen-1-ylphenyl)-2-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 1-(2,3-dinaphthalen-1-ylphenyl)-2-phenylindolo[3,2-c]carbazole is c1ccc(-c2ccc3c(c2-c2cccc(-c4cccc5ccccc45)c2-c2cccc4ccccc24)-c2c4c(ccc2=N3)=c2ccccc2=N4)cc1.
What is the InChIKey of 1-(2,3-dinaphthalen-1-ylphenyl)-2-phenylindolo[3,2-c]carbazole?
The InChIKey is KDVVGCMODWDVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2/c1-2-13-33(14-3-1)36-27-29-44-48(49-45(51-44)30-28-41-38-21-8-9-26-43(38)52-50(41)49)47(36)42-25-12-24-40(37-22-10-17-31-15-4-6-19-34(31)37)46(42)39-23-11-18-32-16-5-7-20-35(32)39/h1-30H.
What are the key properties of 1-(2,3-dinaphthalen-1-ylphenyl)-2-phenylindolo[3,2-c]carbazole?
1-(2,3-dinaphthalen-1-ylphenyl)-2-phenylindolo[3,2-c]carbazole has a molecular weight of 658.80 g/mol, XLogP of 12.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dinaphthalen-1-ylphenyl)-2-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 166134514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).