[3-benzoyl-5-(11H-indolo[2,3-a]carbazol-12-ylmethyl)phenyl]-phenylmethanone

C39H26N2O2 — CID 122430667

IUPAC[3-benzoyl-5-(11H-indolo[2,3-a]carbazol-12-ylmethyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Cn2c3ccccc3c3ccc4c5ccccc5[nH]c4c32)cc(C(=O)c2ccccc2)c1
InChIInChI=1S/C39H26N2O2/c42-38(26-11-3-1-4-12-26)28-21-25(22-29(23-28)39(43)27-13-5-2-6-14-27)24-41-35-18-10-8-16-31(35)33-20-19-32-30-15-7-9-17-34(30)40-36(32)37(33)41/h1-23,40H,24H2
InChIKeyQNEFWWRDMBKMQZ-UHFFFAOYSA-N
MW554.65 g/mol
LogP8.94
Rot. Bonds6

About [3-benzoyl-5-(11H-indolo[2,3-a]carbazol-12-ylmethyl)phenyl]-phenylmethanone

[3-benzoyl-5-(11H-indolo[2,3-a]carbazol-12-ylmethyl)phenyl]-phenylmethanone (PubChem CID 122430667) has the molecular formula C39H26N2O2 and a molecular weight of 554.65 g/mol. Its IUPAC name is [3-benzoyl-5-(11H-indolo[2,3-a]carbazol-12-ylmethyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-benzoyl-5-(11H-indolo[2,3-a]carbazol-12-ylmethyl)phenyl]-phenylmethanone
PubChem CID122430667
Molecular FormulaC39H26N2O2
Molecular Weight554.65 g/mol
Exact Mass554.20
IUPAC Name[3-benzoyl-5-(11H-indolo[2,3-a]carbazol-12-ylmethyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Cn2c3ccccc3c3ccc4c5ccccc5[nH]c4c32)cc(C(=O)c2ccccc2)c1
InChIInChI=1S/C39H26N2O2/c42-38(26-11-3-1-4-12-26)28-21-25(22-29(23-28)39(43)27-13-5-2-6-14-27)24-41-35-18-10-8-16-31(35)33-20-19-32-30-15-7-9-17-34(30)40-36(32)37(33)41/h1-23,40H,24H2
InChIKeyQNEFWWRDMBKMQZ-UHFFFAOYSA-N
XLogP8.94
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.65
LogP ≤ 58.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-benzoyl-5-(11H-indolo[2,3-a]carbazol-12-ylmethyl)phenyl]-phenylmethanone with MolForge

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Related Compounds

15-octyl-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 11155335
(2-amino-9H-carbazol-1-yl)-phenylmethanone
CID 154352677
12-tert-butyl-11H-indolo[2,3-a]carbazole
CID 172511802
1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-[(1-methoxy-3-methylcarbazol-9-yl)methyl]carbazole
CID 102015823
12-[4-(3-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
CID 165165620
2-(9-benzyl-1-methylcarbazol-2-yl)acetamide
CID 71397775
(9-pentylcarbazol-3-yl)-phenylmethanone
CID 56651356
9H-carbazole;[2-(9H-carbazol-1-yl)phenyl]-phenylmethanone
CID 175398027
[9-(6-bromohexyl)carbazol-3-yl]-phenylmethanone
CID 142738622
4-[(1-methylpyrido[3,4-b]indol-9-yl)methyl]benzoic acid
CID 143936876
12-[2-(2-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
CID 165165529
(3-benzoyl-5-benzylphenyl)-phenylmethanone
CID 13496348

Frequently Asked Questions

What is the IUPAC name of [3-benzoyl-5-(11H-indolo[2,3-a]carbazol-12-ylmethyl)phenyl]-phenylmethanone?
The IUPAC name of [3-benzoyl-5-(11H-indolo[2,3-a]carbazol-12-ylmethyl)phenyl]-phenylmethanone (CID 122430667) is [3-benzoyl-5-(11H-indolo[2,3-a]carbazol-12-ylmethyl)phenyl]-phenylmethanone.
What is the SMILES notation for [3-benzoyl-5-(11H-indolo[2,3-a]carbazol-12-ylmethyl)phenyl]-phenylmethanone?
The canonical SMILES for [3-benzoyl-5-(11H-indolo[2,3-a]carbazol-12-ylmethyl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1cc(Cn2c3ccccc3c3ccc4c5ccccc5[nH]c4c32)cc(C(=O)c2ccccc2)c1.
What is the InChIKey of [3-benzoyl-5-(11H-indolo[2,3-a]carbazol-12-ylmethyl)phenyl]-phenylmethanone?
The InChIKey is QNEFWWRDMBKMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N2O2/c42-38(26-11-3-1-4-12-26)28-21-25(22-29(23-28)39(43)27-13-5-2-6-14-27)24-41-35-18-10-8-16-31(35)33-20-19-32-30-15-7-9-17-34(30)40-36(32)37(33)41/h1-23,40H,24H2.
What are the key properties of [3-benzoyl-5-(11H-indolo[2,3-a]carbazol-12-ylmethyl)phenyl]-phenylmethanone?
[3-benzoyl-5-(11H-indolo[2,3-a]carbazol-12-ylmethyl)phenyl]-phenylmethanone has a molecular weight of 554.65 g/mol, XLogP of 8.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzoyl-5-(11H-indolo[2,3-a]carbazol-12-ylmethyl)phenyl]-phenylmethanone is sourced from PubChem (CID 122430667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).