9-cyclohexa-2,4-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzofuran-2-yl)-1,2-dihydroquinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole

C50H42N4O — CID 70913238

IUPAC9-cyclohexa-2,4-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzofuran-2-yl)-1,2-dihydroquinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole
SMILESC1=CCC(n2c3c(c4ccccc42)C=C(C2=Cc4c5c(n(C6N=C(c7ccc8oc9c(c8c7)C=CCC9)c7ccccc7N6)c4CC2)CCC=C5)CC3)C=C1
InChIInChI=1S/C50H42N4O/c1-2-12-34(13-3-1)53-43-19-9-5-14-35(43)39-28-31(22-25-45(39)53)32-23-26-46-40(29-32)36-15-6-10-20-44(36)54(46)50-51-42-18-8-4-17-38(42)49(52-50)33-24-27-48-41(30-33)37-16-7-11-21-47(37)55-48/h1-9,12,14-19,24,27-30,34,50-51H,10-11,13,20-23,25-26H2
InChIKeyYQALYAVDAUVXQY-UHFFFAOYSA-N
MW714.91 g/mol
LogP11.94
Rot. Bonds4

About 9-cyclohexa-2,4-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzofuran-2-yl)-1,2-dihydroquinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole

9-cyclohexa-2,4-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzofuran-2-yl)-1,2-dihydroquinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole (PubChem CID 70913238) has the molecular formula C50H42N4O and a molecular weight of 714.91 g/mol. Its IUPAC name is 9-cyclohexa-2,4-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzofuran-2-yl)-1,2-dihydroquinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole.

Molecular Properties

Compound Name9-cyclohexa-2,4-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzofuran-2-yl)-1,2-dihydroquinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole
PubChem CID70913238
Molecular FormulaC50H42N4O
Molecular Weight714.91 g/mol
Exact Mass714.34
IUPAC Name9-cyclohexa-2,4-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzofuran-2-yl)-1,2-dihydroquinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole
SMILESC1=CCC(n2c3c(c4ccccc42)C=C(C2=Cc4c5c(n(C6N=C(c7ccc8oc9c(c8c7)C=CCC9)c7ccccc7N6)c4CC2)CCC=C5)CC3)C=C1
InChIInChI=1S/C50H42N4O/c1-2-12-34(13-3-1)53-43-19-9-5-14-35(43)39-28-31(22-25-45(39)53)32-23-26-46-40(29-32)36-15-6-10-20-44(36)54(46)50-51-42-18-8-4-17-38(42)49(52-50)33-24-27-48-41(30-33)37-16-7-11-21-47(37)55-48/h1-9,12,14-19,24,27-30,34,50-51H,10-11,13,20-23,25-26H2
InChIKeyYQALYAVDAUVXQY-UHFFFAOYSA-N
XLogP11.94
TPSA47.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 511.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-cyclohexa-2,4-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzofuran-2-yl)-1,2-dihydroquinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole 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

2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 145140879
3-[8-(3,4-dihydrocarbazol-9-yl)-6,7-dihydrodibenzofuran-2-yl]-9-[2-(3-phenyl-3,4-dihydropyridin-2-yl)phenyl]-1,2-dihydrocarbazole
CID 163921566
3-[4-(4-cyclohexa-2,4-dien-1-yl-2-phenyl-1,2-dihydropyridin-6-yl)cyclohexa-1,5-dien-1-yl]-9-(3-dibenzofuran-4-ylphenyl)-1,2-dihydrocarbazole
CID 118123060
9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole
CID 129111739
9-cyclohexa-2,4-dien-1-yl-3-[3-(8,9-dihydrodibenzofuran-4-yl)dibenzothiophen-2-yl]carbazole
CID 163418716
7-cyclohexa-2,4-dien-1-yl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 145141021
9-cyclohexa-2,4-dien-1-yl-3-(2,3,7,8,9,10-hexahydrotriphenylen-2-yl)carbazole
CID 134390909
3-(3,4-dihydrodibenzofuran-2-yl)-9-propan-2-yl-1,2-dihydrocarbazole
CID 70912927
9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole
CID 144541028
3-[9-[4-(8,9-dihydrodibenzothiophen-4-yl)-3-methyl-2,4-dihydro-1H-quinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-9-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1,2-dihydrocarbazole
CID 70913054
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 142322093
9-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydrocarbazole
CID 145313772

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-2,4-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzofuran-2-yl)-1,2-dihydroquinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole?
The IUPAC name of 9-cyclohexa-2,4-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzofuran-2-yl)-1,2-dihydroquinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole (CID 70913238) is 9-cyclohexa-2,4-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzofuran-2-yl)-1,2-dihydroquinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole.
What is the SMILES notation for 9-cyclohexa-2,4-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzofuran-2-yl)-1,2-dihydroquinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole?
The canonical SMILES for 9-cyclohexa-2,4-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzofuran-2-yl)-1,2-dihydroquinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole is C1=CCC(n2c3c(c4ccccc42)C=C(C2=Cc4c5c(n(C6N=C(c7ccc8oc9c(c8c7)C=CCC9)c7ccccc7N6)c4CC2)CCC=C5)CC3)C=C1.
What is the InChIKey of 9-cyclohexa-2,4-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzofuran-2-yl)-1,2-dihydroquinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole?
The InChIKey is YQALYAVDAUVXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42N4O/c1-2-12-34(13-3-1)53-43-19-9-5-14-35(43)39-28-31(22-25-45(39)53)32-23-26-46-40(29-32)36-15-6-10-20-44(36)54(46)50-51-42-18-8-4-17-38(42)49(52-50)33-24-27-48-41(30-33)37-16-7-11-21-47(37)55-48/h1-9,12,14-19,24,27-30,34,50-51H,10-11,13,20-23,25-26H2.
What are the key properties of 9-cyclohexa-2,4-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzofuran-2-yl)-1,2-dihydroquinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole?
9-cyclohexa-2,4-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzofuran-2-yl)-1,2-dihydroquinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole has a molecular weight of 714.91 g/mol, XLogP of 11.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-2,4-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzofuran-2-yl)-1,2-dihydroquinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole is sourced from PubChem (CID 70913238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).