(3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone

C31H23NO2 — CID 156788671

IUPAC(3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone
SMILESO=C(c1ccccc1)n1c2c(c3ccccc31)OCC(=C(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C31H23NO2/c33-31(24-16-8-3-9-17-24)32-27-19-11-10-18-26(27)30-28(32)20-25(21-34-30)29(22-12-4-1-5-13-22)23-14-6-2-7-15-23/h1-19H,20-21H2
InChIKeyCNZNKXZOLSWUPS-UHFFFAOYSA-N
MW441.53 g/mol
LogP6.77
Rot. Bonds3

About (3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone

(3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone (PubChem CID 156788671) has the molecular formula C31H23NO2 and a molecular weight of 441.53 g/mol. Its IUPAC name is (3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone
PubChem CID156788671
Molecular FormulaC31H23NO2
Molecular Weight441.53 g/mol
Exact Mass441.17
IUPAC Name(3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone
SMILESO=C(c1ccccc1)n1c2c(c3ccccc31)OCC(=C(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C31H23NO2/c33-31(24-16-8-3-9-17-24)32-27-19-11-10-18-26(27)30-28(32)20-25(21-34-30)29(22-12-4-1-5-13-22)23-14-6-2-7-15-23/h1-19H,20-21H2
InChIKeyCNZNKXZOLSWUPS-UHFFFAOYSA-N
XLogP6.77
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylcarbazol-9-yl)-phenylmethanone
CID 71277217
(2,3-dimethylideneindol-1-yl)-phenylmethanone
CID 24978319
carbazol-9-yl-(4-fluorophenyl)methanone
CID 8852543
(1-benzoyl-2-hydroxyindol-3-yl)-phenylmethanone
CID 22569367
(2-amino-1-benzoylindol-3-yl)-phenylmethanone
CID 51700673
9-benzoyl-2-[3-(9-benzoyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)propyl]-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione
CID 10417481
ethyl 1-benzoyl-3-bromoindole-2-carboxylate
CID 68975642
(1-methylpyrazolo[4,5-b]indol-4-yl)-phenylmethanone
CID 164524647
5-bromo-1-carbazol-9-ylpentan-1-one
CID 122483241
N-(1-benzoyl-2-methylindol-3-yl)-N-methylsulfonylacetamide
CID 90862769
(1-iodo-2-phenylthieno[2,3-b]indol-4-yl)-phenylmethanone
CID 102130633
carbazole-9-carbonyl fluoride
CID 45082000

Frequently Asked Questions

What is the IUPAC name of (3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone?
The IUPAC name of (3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone (CID 156788671) is (3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone.
What is the SMILES notation for (3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone?
The canonical SMILES for (3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone is O=C(c1ccccc1)n1c2c(c3ccccc31)OCC(=C(c1ccccc1)c1ccccc1)C2.
What is the InChIKey of (3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone?
The InChIKey is CNZNKXZOLSWUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NO2/c33-31(24-16-8-3-9-17-24)32-27-19-11-10-18-26(27)30-28(32)20-25(21-34-30)29(22-12-4-1-5-13-22)23-14-6-2-7-15-23/h1-19H,20-21H2.
What are the key properties of (3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone?
(3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone has a molecular weight of 441.53 g/mol, XLogP of 6.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone is sourced from PubChem (CID 156788671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).