naphthalen-2-yl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]methanone

C37H24N2O — CID 118315145

IUPACnaphthalen-2-yl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2c3ccccc3c3ccc4ccn(-c5ccccc5)c4c32)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C37H24N2O/c40-37(29-15-14-25-8-4-5-9-28(25)24-29)27-16-19-31(20-17-27)39-34-13-7-6-12-32(34)33-21-18-26-22-23-38(35(26)36(33)39)30-10-2-1-3-11-30/h1-24H
InChIKeyWNDYOCUVBQLTQV-UHFFFAOYSA-N
MW512.61 g/mol
LogP9.11
Rot. Bonds4

About naphthalen-2-yl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]methanone

naphthalen-2-yl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]methanone (PubChem CID 118315145) has the molecular formula C37H24N2O and a molecular weight of 512.61 g/mol. Its IUPAC name is naphthalen-2-yl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]methanone.

Molecular Properties

Compound Namenaphthalen-2-yl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]methanone
PubChem CID118315145
Molecular FormulaC37H24N2O
Molecular Weight512.61 g/mol
Exact Mass512.19
IUPAC Namenaphthalen-2-yl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2c3ccccc3c3ccc4ccn(-c5ccccc5)c4c32)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C37H24N2O/c40-37(29-15-14-25-8-4-5-9-28(25)24-29)27-16-19-31(20-17-27)39-34-13-7-6-12-32(34)33-21-18-26-22-23-38(35(26)36(33)39)30-10-2-1-3-11-30/h1-24H
InChIKeyWNDYOCUVBQLTQV-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
naphthalen-2-yl-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone
CID 118315304
10-(4-anthracen-9-ylphenyl)-1-phenylpyrrolo[2,3-a]carbazole
CID 118315120
10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315994
1-phenyl-10-[3-phenyl-5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 90090982
10-(3,5-diphenylphenyl)-1-phenylpyrrolo[2,3-a]carbazole
CID 90371617
phenyl-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]methanone
CID 118315065
1-(3,5-diphenylphenyl)-10-[4-[4-[1-(3,5-diphenylphenyl)pyrrolo[2,3-a]carbazol-10-yl]phenyl]phenyl]pyrrolo[2,3-a]carbazole
CID 90090913
1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole
CID 123457400
1-phenyl-10-[2-phenyl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrimidin-4-yl]pyrrolo[2,3-a]carbazole
CID 90091012
N,1,10-triphenyl-N-(9-phenylcarbazol-3-yl)pyrrolo[2,3-a]carbazol-7-amine
CID 118316092
1-phenyl-10-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 90062409

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]methanone?
The IUPAC name of naphthalen-2-yl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]methanone (CID 118315145) is naphthalen-2-yl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]methanone.
What is the SMILES notation for naphthalen-2-yl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]methanone?
The canonical SMILES for naphthalen-2-yl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]methanone is O=C(c1ccc(-n2c3ccccc3c3ccc4ccn(-c5ccccc5)c4c32)cc1)c1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]methanone?
The InChIKey is WNDYOCUVBQLTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2O/c40-37(29-15-14-25-8-4-5-9-28(25)24-29)27-16-19-31(20-17-27)39-34-13-7-6-12-32(34)33-21-18-26-22-23-38(35(26)36(33)39)30-10-2-1-3-11-30/h1-24H.
What are the key properties of naphthalen-2-yl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]methanone?
naphthalen-2-yl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-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-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]methanone is sourced from PubChem (CID 118315145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).