[8-(4-methoxybenzoyl)-9-pyridin-2-ylcarbazol-1-yl]-(4-methoxyphenyl)methanone

C33H24N2O4 — CID 132502678

IUPAC[8-(4-methoxybenzoyl)-9-pyridin-2-ylcarbazol-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cccc3c4cccc(C(=O)c5ccc(OC)cc5)c4n(-c4ccccn4)c23)cc1
InChIInChI=1S/C33H24N2O4/c1-38-23-16-12-21(13-17-23)32(36)27-9-5-7-25-26-8-6-10-28(33(37)22-14-18-24(39-2)19-15-22)31(26)35(30(25)27)29-11-3-4-20-34-29/h3-20H,1-2H3
InChIKeyPVQYDUUTVFMSCJ-UHFFFAOYSA-N
MW512.57 g/mol
LogP6.66
Rot. Bonds7

About [8-(4-methoxybenzoyl)-9-pyridin-2-ylcarbazol-1-yl]-(4-methoxyphenyl)methanone

[8-(4-methoxybenzoyl)-9-pyridin-2-ylcarbazol-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 132502678) has the molecular formula C33H24N2O4 and a molecular weight of 512.57 g/mol. Its IUPAC name is [8-(4-methoxybenzoyl)-9-pyridin-2-ylcarbazol-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[8-(4-methoxybenzoyl)-9-pyridin-2-ylcarbazol-1-yl]-(4-methoxyphenyl)methanone
PubChem CID132502678
Molecular FormulaC33H24N2O4
Molecular Weight512.57 g/mol
Exact Mass512.17
IUPAC Name[8-(4-methoxybenzoyl)-9-pyridin-2-ylcarbazol-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cccc3c4cccc(C(=O)c5ccc(OC)cc5)c4n(-c4ccccn4)c23)cc1
InChIInChI=1S/C33H24N2O4/c1-38-23-16-12-21(13-17-23)32(36)27-9-5-7-25-26-8-6-10-28(33(37)22-14-18-24(39-2)19-15-22)31(26)35(30(25)27)29-11-3-4-20-34-29/h3-20H,1-2H3
InChIKeyPVQYDUUTVFMSCJ-UHFFFAOYSA-N
XLogP6.66
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.57
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxyphenyl)-(2-pyridin-2-ylphenyl)methanone
CID 102294029
(5,8-dihydroxyquinolin-6-yl)-(4-methoxyphenyl)methanone
CID 136706022
isoquinolin-1-yl-(4-methoxyphenyl)methanone
CID 693112
2-(4-methoxybenzoyl)benzoyl chloride
CID 13352630
(2-iodophenyl)-(4-methoxyphenyl)methanone
CID 43160499
(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanone
CID 23404431
2-[2-(4-methoxybenzoyl)phenyl]acetic acid
CID 15621221
1-benzofuran-3-yl-(4-methoxyphenyl)methanone
CID 21487962
2-benzoyl-N'-(4-methoxybenzoyl)benzohydrazide
CID 585519
(2-ethenylphenyl)-(4-methoxyphenyl)methanone
CID 134346906
S-pyridin-2-yl 4-methoxybenzenecarbothioate
CID 5097621
[2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone
CID 154019632

Frequently Asked Questions

What is the IUPAC name of [8-(4-methoxybenzoyl)-9-pyridin-2-ylcarbazol-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [8-(4-methoxybenzoyl)-9-pyridin-2-ylcarbazol-1-yl]-(4-methoxyphenyl)methanone (CID 132502678) is [8-(4-methoxybenzoyl)-9-pyridin-2-ylcarbazol-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [8-(4-methoxybenzoyl)-9-pyridin-2-ylcarbazol-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [8-(4-methoxybenzoyl)-9-pyridin-2-ylcarbazol-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cccc3c4cccc(C(=O)c5ccc(OC)cc5)c4n(-c4ccccn4)c23)cc1.
What is the InChIKey of [8-(4-methoxybenzoyl)-9-pyridin-2-ylcarbazol-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is PVQYDUUTVFMSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2O4/c1-38-23-16-12-21(13-17-23)32(36)27-9-5-7-25-26-8-6-10-28(33(37)22-14-18-24(39-2)19-15-22)31(26)35(30(25)27)29-11-3-4-20-34-29/h3-20H,1-2H3.
What are the key properties of [8-(4-methoxybenzoyl)-9-pyridin-2-ylcarbazol-1-yl]-(4-methoxyphenyl)methanone?
[8-(4-methoxybenzoyl)-9-pyridin-2-ylcarbazol-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 512.57 g/mol, XLogP of 6.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(4-methoxybenzoyl)-9-pyridin-2-ylcarbazol-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 132502678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).