(3,10-diphenylpyrrolo[3,2-a]carbazol-7-yl)-naphthalen-2-ylmethanone

C37H24N2O — CID 118316064

IUPAC(3,10-diphenylpyrrolo[3,2-a]carbazol-7-yl)-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)c1ccc2c(c1)c1ccc3c(ccn3-c3ccccc3)c1n2-c1ccccc1
InChIInChI=1S/C37H24N2O/c40-37(27-16-15-25-9-7-8-10-26(25)23-27)28-17-19-35-33(24-28)31-18-20-34-32(21-22-38(34)29-11-3-1-4-12-29)36(31)39(35)30-13-5-2-6-14-30/h1-24H
InChIKeyCTHIYDDDEZGYIY-UHFFFAOYSA-N
MW512.61 g/mol
LogP9.11
Rot. Bonds4

About (3,10-diphenylpyrrolo[3,2-a]carbazol-7-yl)-naphthalen-2-ylmethanone

(3,10-diphenylpyrrolo[3,2-a]carbazol-7-yl)-naphthalen-2-ylmethanone (PubChem CID 118316064) has the molecular formula C37H24N2O and a molecular weight of 512.61 g/mol. Its IUPAC name is (3,10-diphenylpyrrolo[3,2-a]carbazol-7-yl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(3,10-diphenylpyrrolo[3,2-a]carbazol-7-yl)-naphthalen-2-ylmethanone
PubChem CID118316064
Molecular FormulaC37H24N2O
Molecular Weight512.61 g/mol
Exact Mass512.19
IUPAC Name(3,10-diphenylpyrrolo[3,2-a]carbazol-7-yl)-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)c1ccc2c(c1)c1ccc3c(ccn3-c3ccccc3)c1n2-c1ccccc1
InChIInChI=1S/C37H24N2O/c40-37(27-16-15-25-9-7-8-10-26(25)23-27)28-17-19-35-33(24-28)31-18-20-34-32(21-22-38(34)29-11-3-1-4-12-29)36(31)39(35)30-13-5-2-6-14-30/h1-24H
InChIKeyCTHIYDDDEZGYIY-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

naphthalen-2-yl-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone
CID 118315304
naphthalen-2-yl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]methanone
CID 118315145
3-phenyl-10-(4-pyren-1-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118314953
3,10-diphenyl-7-(5-phenylpyrazin-2-yl)pyrrolo[3,2-a]carbazole
CID 123618530
3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 118314952
23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene
CID 90267315
7-(2-nitrophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole
CID 90257402
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole
CID 90183196
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene
CID 90267450
14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene
CID 90267426
phenyl-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]methanone
CID 118315065
11-(4-carbazol-9-ylphenyl)-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
CID 123940572

Frequently Asked Questions

What is the IUPAC name of (3,10-diphenylpyrrolo[3,2-a]carbazol-7-yl)-naphthalen-2-ylmethanone?
The IUPAC name of (3,10-diphenylpyrrolo[3,2-a]carbazol-7-yl)-naphthalen-2-ylmethanone (CID 118316064) is (3,10-diphenylpyrrolo[3,2-a]carbazol-7-yl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (3,10-diphenylpyrrolo[3,2-a]carbazol-7-yl)-naphthalen-2-ylmethanone?
The canonical SMILES for (3,10-diphenylpyrrolo[3,2-a]carbazol-7-yl)-naphthalen-2-ylmethanone is O=C(c1ccc2ccccc2c1)c1ccc2c(c1)c1ccc3c(ccn3-c3ccccc3)c1n2-c1ccccc1.
What is the InChIKey of (3,10-diphenylpyrrolo[3,2-a]carbazol-7-yl)-naphthalen-2-ylmethanone?
The InChIKey is CTHIYDDDEZGYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2O/c40-37(27-16-15-25-9-7-8-10-26(25)23-27)28-17-19-35-33(24-28)31-18-20-34-32(21-22-38(34)29-11-3-1-4-12-29)36(31)39(35)30-13-5-2-6-14-30/h1-24H.
What are the key properties of (3,10-diphenylpyrrolo[3,2-a]carbazol-7-yl)-naphthalen-2-ylmethanone?
(3,10-diphenylpyrrolo[3,2-a]carbazol-7-yl)-naphthalen-2-ylmethanone 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 (3,10-diphenylpyrrolo[3,2-a]carbazol-7-yl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 118316064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).