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

C48H29N3 — CID 166134906

IUPAC2-phenyl-1-[2-(2-phenyl-9H-carbazol-1-yl)phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc3c(c2-c2ccccc2-c2c(-c4ccccc4)ccc4c2[nH]c2ccccc24)-c2c4c(ccc2=N3)=c2ccccc2=N4)cc1
InChIInChI=1S/C48H29N3/c1-3-13-29(14-4-1)31-25-27-41-45(46-42(49-41)28-26-38-34-18-10-12-22-40(34)51-48(38)46)43(31)35-19-7-8-20-36(35)44-32(30-15-5-2-6-16-30)23-24-37-33-17-9-11-21-39(33)50-47(37)44/h1-28,50H
InChIKeyLBEFYWUFIXBNTR-UHFFFAOYSA-N
MW647.78 g/mol
LogP11.47
Rot. Bonds4

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

2-phenyl-1-[2-(2-phenyl-9H-carbazol-1-yl)phenyl]indolo[3,2-c]carbazole (PubChem CID 166134906) has the molecular formula C48H29N3 and a molecular weight of 647.78 g/mol. Its IUPAC name is 2-phenyl-1-[2-(2-phenyl-9H-carbazol-1-yl)phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name2-phenyl-1-[2-(2-phenyl-9H-carbazol-1-yl)phenyl]indolo[3,2-c]carbazole
PubChem CID166134906
Molecular FormulaC48H29N3
Molecular Weight647.78 g/mol
Exact Mass647.24
IUPAC Name2-phenyl-1-[2-(2-phenyl-9H-carbazol-1-yl)phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc3c(c2-c2ccccc2-c2c(-c4ccccc4)ccc4c2[nH]c2ccccc24)-c2c4c(ccc2=N3)=c2ccccc2=N4)cc1
InChIInChI=1S/C48H29N3/c1-3-13-29(14-4-1)31-25-27-41-45(46-42(49-41)28-26-38-34-18-10-12-22-40(34)51-48(38)46)43(31)35-19-7-8-20-36(35)44-32(30-15-5-2-6-16-30)23-24-37-33-17-9-11-21-39(33)50-47(37)44/h1-28,50H
InChIKeyLBEFYWUFIXBNTR-UHFFFAOYSA-N
XLogP11.47
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.78
LogP ≤ 511.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-phenyl-9H-carbazol-1-yl)-1-[2-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 166133949
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-(2,3-dinaphthalen-1-ylphenyl)-2-phenylindolo[3,2-c]carbazole
CID 166134514
1-[2-(2-phenylphenyl)phenyl]-2-(4-phenylquinazolin-2-yl)indolo[3,2-c]carbazole
CID 166133828
1-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazole
CID 166133451
2-phenyl-1-[2-(2-phenylphenyl)phenyl]-9H-carbazole
CID 175810987
2-phenyl-9H-carbazol-1-ol
CID 118682381
1-cinnolin-3-yl-2-phenylindolo[3,2-c]carbazole
CID 166134412
1-[5-(9H-fluoren-1-yl)-6-phenyltriazin-4-yl]-2-phenylindolo[3,2-c]carbazole
CID 166134637
1-[5-phenyl-6-(2-phenylphenyl)triazin-4-yl]indolo[3,2-c]carbazole
CID 171060205

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[2-(2-phenyl-9H-carbazol-1-yl)phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 2-phenyl-1-[2-(2-phenyl-9H-carbazol-1-yl)phenyl]indolo[3,2-c]carbazole (CID 166134906) is 2-phenyl-1-[2-(2-phenyl-9H-carbazol-1-yl)phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 2-phenyl-1-[2-(2-phenyl-9H-carbazol-1-yl)phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 2-phenyl-1-[2-(2-phenyl-9H-carbazol-1-yl)phenyl]indolo[3,2-c]carbazole is c1ccc(-c2ccc3c(c2-c2ccccc2-c2c(-c4ccccc4)ccc4c2[nH]c2ccccc24)-c2c4c(ccc2=N3)=c2ccccc2=N4)cc1.
What is the InChIKey of 2-phenyl-1-[2-(2-phenyl-9H-carbazol-1-yl)phenyl]indolo[3,2-c]carbazole?
The InChIKey is LBEFYWUFIXBNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3/c1-3-13-29(14-4-1)31-25-27-41-45(46-42(49-41)28-26-38-34-18-10-12-22-40(34)51-48(38)46)43(31)35-19-7-8-20-36(35)44-32(30-15-5-2-6-16-30)23-24-37-33-17-9-11-21-39(33)50-47(37)44/h1-28,50H.
What are the key properties of 2-phenyl-1-[2-(2-phenyl-9H-carbazol-1-yl)phenyl]indolo[3,2-c]carbazole?
2-phenyl-1-[2-(2-phenyl-9H-carbazol-1-yl)phenyl]indolo[3,2-c]carbazole has a molecular weight of 647.78 g/mol, XLogP of 11.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[2-(2-phenyl-9H-carbazol-1-yl)phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 166134906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).