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

C28H20N2O — CID 118316044

IUPAC(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone
SMILESCc1ccc(C(=O)n2ccc3ccc4c5ccccc5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/C28H20N2O/c1-19-11-13-21(14-12-19)28(31)29-18-17-20-15-16-24-23-9-5-6-10-25(23)30(27(24)26(20)29)22-7-3-2-4-8-22/h2-18H,1H3
InChIKeyAFLRBHOMDSQBKF-UHFFFAOYSA-N
MW400.48 g/mol
LogP6.74
Rot. Bonds2

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

(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone (PubChem CID 118316044) has the molecular formula C28H20N2O and a molecular weight of 400.48 g/mol. Its IUPAC name is (4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone
PubChem CID118316044
Molecular FormulaC28H20N2O
Molecular Weight400.48 g/mol
Exact Mass400.16
IUPAC Name(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone
SMILESCc1ccc(C(=O)n2ccc3ccc4c5ccccc5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/C28H20N2O/c1-19-11-13-21(14-12-19)28(31)29-18-17-20-15-16-24-23-9-5-6-10-25(23)30(27(24)26(20)29)22-7-3-2-4-8-22/h2-18H,1H3
InChIKeyAFLRBHOMDSQBKF-UHFFFAOYSA-N
XLogP6.74
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)-(4-methylphenyl)methanone
CID 118315729
N,9-bis(4-tert-butylphenyl)-N-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine;3,10-diphenyl-7-triphenylen-2-ylpyrrolo[3,2-a]carbazole;(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone
CID 160567331
indol-1-yl-(4-methylphenyl)methanone
CID 10955526
7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole
CID 118504699
naphthalen-2-yl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]methanone
CID 118315145
(4-methylphenyl)-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)methanone;3-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[3,2-b]carbazole;3-phenyl-9-triphenylen-2-ylpyrrolo[3,2-b]carbazole
CID 160810500
9-(4-methylphenyl)-N-phenyl-N-[4-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine
CID 118316037
N-[9-(4-methylphenyl)carbazol-3-yl]-N,1,10-triphenylpyrrolo[2,3-a]carbazol-7-amine
CID 118316091
9-(4-methylphenyl)-N-phenyl-N-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine
CID 118315164
methyl 4-[4-(4-methoxycarbonylphenyl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]benzoate
CID 144596067
10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315994
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone?
The IUPAC name of (4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone (CID 118316044) is (4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone is Cc1ccc(C(=O)n2ccc3ccc4c5ccccc5n(-c5ccccc5)c4c32)cc1.
What is the InChIKey of (4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone?
The InChIKey is AFLRBHOMDSQBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O/c1-19-11-13-21(14-12-19)28(31)29-18-17-20-15-16-24-23-9-5-6-10-25(23)30(27(24)26(20)29)22-7-3-2-4-8-22/h2-18H,1H3.
What are the key properties of (4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone?
(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone has a molecular weight of 400.48 g/mol, XLogP of 6.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone is sourced from PubChem (CID 118316044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).