1-(3-carbazol-9-ylphenyl)-3-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]quinazoline-2,4-dione

C39H29N3O2 — CID 156568725

IUPAC1-(3-carbazol-9-ylphenyl)-3-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]quinazoline-2,4-dione
SMILESC=C(/C=C\C(=C/C)n1c(=O)c2ccccc2n(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1=O)c1ccccc1
InChIInChI=1S/C39H29N3O2/c1-3-29(25-24-27(2)28-14-5-4-6-15-28)42-38(43)34-20-9-12-23-37(34)41(39(42)44)31-17-13-16-30(26-31)40-35-21-10-7-18-32(35)33-19-8-11-22-36(33)40/h3-26H,2H2,1H3/b25-24-,29-3+
InChIKeyRNFAVRRUZLPBMO-YXEJLUEBSA-N
MW571.68 g/mol
LogP8.38
Rot. Bonds6

About 1-(3-carbazol-9-ylphenyl)-3-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]quinazoline-2,4-dione

1-(3-carbazol-9-ylphenyl)-3-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]quinazoline-2,4-dione (PubChem CID 156568725) has the molecular formula C39H29N3O2 and a molecular weight of 571.68 g/mol. Its IUPAC name is 1-(3-carbazol-9-ylphenyl)-3-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-(3-carbazol-9-ylphenyl)-3-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]quinazoline-2,4-dione
PubChem CID156568725
Molecular FormulaC39H29N3O2
Molecular Weight571.68 g/mol
Exact Mass571.23
IUPAC Name1-(3-carbazol-9-ylphenyl)-3-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]quinazoline-2,4-dione
SMILESC=C(/C=C\C(=C/C)n1c(=O)c2ccccc2n(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1=O)c1ccccc1
InChIInChI=1S/C39H29N3O2/c1-3-29(25-24-27(2)28-14-5-4-6-15-28)42-38(43)34-20-9-12-23-37(34)41(39(42)44)31-17-13-16-30(26-31)40-35-21-10-7-18-32(35)33-19-8-11-22-36(33)40/h3-26H,2H2,1H3/b25-24-,29-3+
InChIKeyRNFAVRRUZLPBMO-YXEJLUEBSA-N
XLogP8.38
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.68
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-(3-carbazol-9-ylphenyl)-3-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]quinazoline-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[3-[(2E,4Z)-6-carbazol-9-ylhepta-2,4,6-trien-2-yl]phenyl]carbazole
CID 146541574
11-[(3E)-penta-1,3-dien-3-yl]-5-phenylindolo[3,2-b]carbazole
CID 126538258
9-(3-carbazol-9-ylphenyl)carbazole;methane
CID 157215827
[3-(3-carbazol-9-ylbenzoyl)phenyl]-(3-carbazol-9-ylphenyl)methanone
CID 58084752
2,4-diphenyl-7-(9-phenylcarbazol-3-yl)pyrimido[4,5-c]carbazole-1,3-dione
CID 122491563
(1Z,3Z)-5-[4-(9-phenylcarbazol-3-yl)phenyl]hexa-1,3,5-trien-1-amine
CID 129022099
11-[3-(3-phenylcarbazol-9-yl)phenyl]-9,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-8,10-dione
CID 118390382
3-[3-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]-5-phenylphenyl]-9-phenylcarbazole
CID 129225827
3-[9-[3-[(3E,5Z)-hepta-3,5-dien-1-yn-4-yl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 170205271
9-phenyl-14-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;prop-1-ene
CID 145334335
9-[8-[(3Z)-penta-1,3-dien-2-yl]dibenzofuran-2-yl]carbazole
CID 144541208
16-(3-carbazol-9-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 155465799

Frequently Asked Questions

What is the IUPAC name of 1-(3-carbazol-9-ylphenyl)-3-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]quinazoline-2,4-dione?
The IUPAC name of 1-(3-carbazol-9-ylphenyl)-3-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]quinazoline-2,4-dione (CID 156568725) is 1-(3-carbazol-9-ylphenyl)-3-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]quinazoline-2,4-dione.
What is the SMILES notation for 1-(3-carbazol-9-ylphenyl)-3-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]quinazoline-2,4-dione?
The canonical SMILES for 1-(3-carbazol-9-ylphenyl)-3-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]quinazoline-2,4-dione is C=C(/C=C\C(=C/C)n1c(=O)c2ccccc2n(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1=O)c1ccccc1.
What is the InChIKey of 1-(3-carbazol-9-ylphenyl)-3-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]quinazoline-2,4-dione?
The InChIKey is RNFAVRRUZLPBMO-YXEJLUEBSA-N. The full InChI is InChI=1S/C39H29N3O2/c1-3-29(25-24-27(2)28-14-5-4-6-15-28)42-38(43)34-20-9-12-23-37(34)41(39(42)44)31-17-13-16-30(26-31)40-35-21-10-7-18-32(35)33-19-8-11-22-36(33)40/h3-26H,2H2,1H3/b25-24-,29-3+.
What are the key properties of 1-(3-carbazol-9-ylphenyl)-3-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]quinazoline-2,4-dione?
1-(3-carbazol-9-ylphenyl)-3-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]quinazoline-2,4-dione has a molecular weight of 571.68 g/mol, XLogP of 8.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carbazol-9-ylphenyl)-3-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]quinazoline-2,4-dione is sourced from PubChem (CID 156568725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).