9-[3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]quinazolin-4-yl]phenyl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole

C51H38N4 — CID 88899416

IUPAC9-[3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]quinazolin-4-yl]phenyl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
SMILESC=C/C(=C\C=C/C)c1nc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)C5C=CC=CC5N6c5ccccc5)ccc43)c2)c2ccccc2n1
InChIInChI=1S/C51H38N4/c1-3-5-16-34(4-2)51-52-45-24-12-9-23-42(45)50(53-51)37-17-15-20-39(31-37)55-47-26-14-11-22-41(47)44-33-36(28-30-49(44)55)35-27-29-48-43(32-35)40-21-10-13-25-46(40)54(48)38-18-7-6-8-19-38/h3-33,40,46H,2H2,1H3/b5-3-,34-16+
InChIKeyWOADJGWRYRHSAV-HAYPFTDCSA-N
MW706.89 g/mol
LogP12.94
Rot. Bonds7

About 9-[3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]quinazolin-4-yl]phenyl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole

9-[3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]quinazolin-4-yl]phenyl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole (PubChem CID 88899416) has the molecular formula C51H38N4 and a molecular weight of 706.89 g/mol. Its IUPAC name is 9-[3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]quinazolin-4-yl]phenyl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-[3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]quinazolin-4-yl]phenyl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
PubChem CID88899416
Molecular FormulaC51H38N4
Molecular Weight706.89 g/mol
Exact Mass706.31
IUPAC Name9-[3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]quinazolin-4-yl]phenyl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
SMILESC=C/C(=C\C=C/C)c1nc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)C5C=CC=CC5N6c5ccccc5)ccc43)c2)c2ccccc2n1
InChIInChI=1S/C51H38N4/c1-3-5-16-34(4-2)51-52-45-24-12-9-23-42(45)50(53-51)37-17-15-20-39(31-37)55-47-26-14-11-22-41(47)44-33-36(28-30-49(44)55)35-27-29-48-43(32-35)40-21-10-13-25-46(40)54(48)38-18-7-6-8-19-38/h3-33,40,46H,2H2,1H3/b5-3-,34-16+
InChIKeyWOADJGWRYRHSAV-HAYPFTDCSA-N
XLogP12.94
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.89
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-[3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]quinazolin-4-yl]phenyl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole 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

3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
3-[9-(3-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 145339560
9-phenyl-3-[9-(4-phenylquinolin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 166750436
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
9-phenyl-2-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 144596228
3-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-2-yl]carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 165068663
9-[4-(3-methylphenyl)phenyl]-3-[9-[4-(3-methylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 144943124
9-phenyl-3-[9-(4-pyridin-3-ylphenyl)-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 129074552
9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 146530782
5-(4-naphthalen-2-yl-7-phenylquinazolin-2-yl)-11-[3-(4-phenylphenyl)phenyl]-4a,12b-dihydroindolo[3,2-b]carbazole
CID 163882271

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]quinazolin-4-yl]phenyl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole?
The IUPAC name of 9-[3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]quinazolin-4-yl]phenyl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole (CID 88899416) is 9-[3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]quinazolin-4-yl]phenyl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole.
What is the SMILES notation for 9-[3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]quinazolin-4-yl]phenyl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole?
The canonical SMILES for 9-[3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]quinazolin-4-yl]phenyl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole is C=C/C(=C\C=C/C)c1nc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)C5C=CC=CC5N6c5ccccc5)ccc43)c2)c2ccccc2n1.
What is the InChIKey of 9-[3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]quinazolin-4-yl]phenyl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole?
The InChIKey is WOADJGWRYRHSAV-HAYPFTDCSA-N. The full InChI is InChI=1S/C51H38N4/c1-3-5-16-34(4-2)51-52-45-24-12-9-23-42(45)50(53-51)37-17-15-20-39(31-37)55-47-26-14-11-22-41(47)44-33-36(28-30-49(44)55)35-27-29-48-43(32-35)40-21-10-13-25-46(40)54(48)38-18-7-6-8-19-38/h3-33,40,46H,2H2,1H3/b5-3-,34-16+.
What are the key properties of 9-[3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]quinazolin-4-yl]phenyl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole?
9-[3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]quinazolin-4-yl]phenyl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole has a molecular weight of 706.89 g/mol, XLogP of 12.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]quinazolin-4-yl]phenyl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole is sourced from PubChem (CID 88899416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).