naphthalen-2-yl-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone

C37H24N2O — CID 118315304

IUPACnaphthalen-2-yl-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2c3ccccc3c3c4ccn(-c5ccccc5)c4ccc32)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C37H24N2O/c40-37(28-15-14-25-8-4-5-9-27(25)24-28)26-16-18-30(19-17-26)39-34-13-7-6-12-31(34)36-32-22-23-38(29-10-2-1-3-11-29)33(32)20-21-35(36)39/h1-24H
InChIKeyCBTMHNGCSNCFSI-UHFFFAOYSA-N
MW512.61 g/mol
LogP9.11
Rot. Bonds4

About naphthalen-2-yl-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone

naphthalen-2-yl-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone (PubChem CID 118315304) has the molecular formula C37H24N2O and a molecular weight of 512.61 g/mol. Its IUPAC name is naphthalen-2-yl-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone.

Molecular Properties

Compound Namenaphthalen-2-yl-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone
PubChem CID118315304
Molecular FormulaC37H24N2O
Molecular Weight512.61 g/mol
Exact Mass512.19
IUPAC Namenaphthalen-2-yl-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2c3ccccc3c3c4ccn(-c5ccccc5)c4ccc32)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C37H24N2O/c40-37(28-15-14-25-8-4-5-9-27(25)24-28)26-16-18-30(19-17-26)39-34-13-7-6-12-31(34)36-32-22-23-38(29-10-2-1-3-11-29)33(32)20-21-35(36)39/h1-24H
InChIKeyCBTMHNGCSNCFSI-UHFFFAOYSA-N
XLogP9.11
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,10-diphenylpyrrolo[3,2-a]carbazol-7-yl)-naphthalen-2-ylmethanone
CID 118316064
6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole
CID 118315266
N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine
CID 118315283
naphthalen-2-yl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]methanone
CID 118315145
phenyl-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]methanone
CID 118315065
3-phenyl-6-[4-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-c]carbazole
CID 118315311
6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-(3-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(4-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole
CID 161247563
N,N-bis(4-tert-butylphenyl)-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline;N-phenyl-N-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine;N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine
CID 162156424
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
CID 90130563
phenyl-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]methanone
CID 118315223
3-(4-isoquinolin-4-ylphenyl)-6-phenylpyrrolo[2,3-c]carbazole
CID 123386659
bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone
CID 102359107

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone?
The IUPAC name of naphthalen-2-yl-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone (CID 118315304) is naphthalen-2-yl-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone.
What is the SMILES notation for naphthalen-2-yl-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone?
The canonical SMILES for naphthalen-2-yl-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone is O=C(c1ccc(-n2c3ccccc3c3c4ccn(-c5ccccc5)c4ccc32)cc1)c1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone?
The InChIKey is CBTMHNGCSNCFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2O/c40-37(28-15-14-25-8-4-5-9-27(25)24-28)26-16-18-30(19-17-26)39-34-13-7-6-12-31(34)36-32-22-23-38(29-10-2-1-3-11-29)33(32)20-21-35(36)39/h1-24H.
What are the key properties of naphthalen-2-yl-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone?
naphthalen-2-yl-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone has a molecular weight of 512.61 g/mol, XLogP of 9.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone is sourced from PubChem (CID 118315304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).