1-(2-naphthalen-1-yl-9H-carbazol-1-yl)-2-phenylindolo[3,2-c]carbazole

C46H27N3 — CID 166135019

IUPAC1-(2-naphthalen-1-yl-9H-carbazol-1-yl)-2-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc3c(c2-c2c(-c4cccc5ccccc45)ccc4c2[nH]c2ccccc24)-c2c4c(ccc2=N3)=c2ccccc2=N4)cc1
InChIInChI=1S/C46H27N3/c1-2-11-28(12-3-1)30-23-25-39-43(44-40(47-39)26-24-36-33-17-7-9-20-38(33)49-46(36)44)41(30)42-34(31-18-10-14-27-13-4-5-15-29(27)31)21-22-35-32-16-6-8-19-37(32)48-45(35)42/h1-26,48H
InChIKeyQUZWQOLOTPESQT-UHFFFAOYSA-N
MW621.74 g/mol
LogP10.96
Rot. Bonds3

About 1-(2-naphthalen-1-yl-9H-carbazol-1-yl)-2-phenylindolo[3,2-c]carbazole

1-(2-naphthalen-1-yl-9H-carbazol-1-yl)-2-phenylindolo[3,2-c]carbazole (PubChem CID 166135019) has the molecular formula C46H27N3 and a molecular weight of 621.74 g/mol. Its IUPAC name is 1-(2-naphthalen-1-yl-9H-carbazol-1-yl)-2-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name1-(2-naphthalen-1-yl-9H-carbazol-1-yl)-2-phenylindolo[3,2-c]carbazole
PubChem CID166135019
Molecular FormulaC46H27N3
Molecular Weight621.74 g/mol
Exact Mass621.22
IUPAC Name1-(2-naphthalen-1-yl-9H-carbazol-1-yl)-2-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc3c(c2-c2c(-c4cccc5ccccc45)ccc4c2[nH]c2ccccc24)-c2c4c(ccc2=N3)=c2ccccc2=N4)cc1
InChIInChI=1S/C46H27N3/c1-2-11-28(12-3-1)30-23-25-39-43(44-40(47-39)26-24-36-33-17-7-9-20-38(33)49-46(36)44)41(30)42-34(31-18-10-14-27-13-4-5-15-29(27)31)21-22-35-32-16-6-8-19-37(32)48-45(35)42/h1-26,48H
InChIKeyQUZWQOLOTPESQT-UHFFFAOYSA-N
XLogP10.96
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.74
LogP ≤ 510.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(2-phenyl-9H-carbazol-1-yl)indolo[3,2-c]carbazole
CID 166135047
2-phenyl-1-[2-(2-phenyl-9H-carbazol-1-yl)phenyl]indolo[3,2-c]carbazole
CID 166134906
2-(2-phenyl-9H-carbazol-1-yl)-1-[2-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 166133949
1-(2,3-dinaphthalen-1-ylphenyl)-2-phenylindolo[3,2-c]carbazole
CID 166134514
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-(5-naphthalen-1-yl-6-phenyltriazin-4-yl)indolo[3,2-c]carbazole
CID 175875644
1-cinnolin-3-yl-2-phenylindolo[3,2-c]carbazole
CID 166134412
N-[2-(2-naphthalen-1-yl-9H-carbazol-1-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 166133613
2-phenyl-9H-carbazol-1-ol
CID 118682381
N-[2-(2-phenyl-9H-carbazol-1-yl)phenyl]naphthalen-1-amine
CID 175536282
2-phenyl-1-[2-(2-phenylphenyl)phenyl]-9H-carbazole
CID 175810987

Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-1-yl-9H-carbazol-1-yl)-2-phenylindolo[3,2-c]carbazole?
The IUPAC name of 1-(2-naphthalen-1-yl-9H-carbazol-1-yl)-2-phenylindolo[3,2-c]carbazole (CID 166135019) is 1-(2-naphthalen-1-yl-9H-carbazol-1-yl)-2-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 1-(2-naphthalen-1-yl-9H-carbazol-1-yl)-2-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 1-(2-naphthalen-1-yl-9H-carbazol-1-yl)-2-phenylindolo[3,2-c]carbazole is c1ccc(-c2ccc3c(c2-c2c(-c4cccc5ccccc45)ccc4c2[nH]c2ccccc24)-c2c4c(ccc2=N3)=c2ccccc2=N4)cc1.
What is the InChIKey of 1-(2-naphthalen-1-yl-9H-carbazol-1-yl)-2-phenylindolo[3,2-c]carbazole?
The InChIKey is QUZWQOLOTPESQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3/c1-2-11-28(12-3-1)30-23-25-39-43(44-40(47-39)26-24-36-33-17-7-9-20-38(33)49-46(36)44)41(30)42-34(31-18-10-14-27-13-4-5-15-29(27)31)21-22-35-32-16-6-8-19-37(32)48-45(35)42/h1-26,48H.
What are the key properties of 1-(2-naphthalen-1-yl-9H-carbazol-1-yl)-2-phenylindolo[3,2-c]carbazole?
1-(2-naphthalen-1-yl-9H-carbazol-1-yl)-2-phenylindolo[3,2-c]carbazole has a molecular weight of 621.74 g/mol, XLogP of 10.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-1-yl-9H-carbazol-1-yl)-2-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 166135019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).