9-[4-(10-cyclohexa-1,3-dien-1-yl-4-methyl-9-phenyl-3,4-dihydroanthracen-2-yl)phenyl]-7-dibenzofuran-4-yl-4a,9a-dihydrocarbazole

C57H43NO — CID 123729608

IUPAC9-[4-(10-cyclohexa-1,3-dien-1-yl-4-methyl-9-phenyl-3,4-dihydroanthracen-2-yl)phenyl]-7-dibenzofuran-4-yl-4a,9a-dihydrocarbazole
SMILESCC1CC(c2ccc(N3c4cc(-c5cccc6c5oc5ccccc56)ccc4C4C=CC=CC43)cc2)=Cc2c1c(C1=CC=CCC1)c1ccccc1c2-c1ccccc1
InChIInChI=1S/C57H43NO/c1-36-33-41(34-50-54(36)56(39-17-6-3-7-18-39)48-22-9-8-21-47(48)55(50)38-15-4-2-5-16-38)37-27-30-42(31-28-37)58-51-25-12-10-19-44(51)45-32-29-40(35-52(45)58)43-23-14-24-49-46-20-11-13-26-53(46)59-57(43)49/h2-6,8-17,19-32,34-36,44,51H,7,18,33H2,1H3
InChIKeyGAXZDBZADSVTGD-UHFFFAOYSA-N
MW757.98 g/mol
LogP15.58
Rot. Bonds5

About 9-[4-(10-cyclohexa-1,3-dien-1-yl-4-methyl-9-phenyl-3,4-dihydroanthracen-2-yl)phenyl]-7-dibenzofuran-4-yl-4a,9a-dihydrocarbazole

9-[4-(10-cyclohexa-1,3-dien-1-yl-4-methyl-9-phenyl-3,4-dihydroanthracen-2-yl)phenyl]-7-dibenzofuran-4-yl-4a,9a-dihydrocarbazole (PubChem CID 123729608) has the molecular formula C57H43NO and a molecular weight of 757.98 g/mol. Its IUPAC name is 9-[4-(10-cyclohexa-1,3-dien-1-yl-4-methyl-9-phenyl-3,4-dihydroanthracen-2-yl)phenyl]-7-dibenzofuran-4-yl-4a,9a-dihydrocarbazole.

Molecular Properties

Compound Name9-[4-(10-cyclohexa-1,3-dien-1-yl-4-methyl-9-phenyl-3,4-dihydroanthracen-2-yl)phenyl]-7-dibenzofuran-4-yl-4a,9a-dihydrocarbazole
PubChem CID123729608
Molecular FormulaC57H43NO
Molecular Weight757.98 g/mol
Exact Mass757.33
IUPAC Name9-[4-(10-cyclohexa-1,3-dien-1-yl-4-methyl-9-phenyl-3,4-dihydroanthracen-2-yl)phenyl]-7-dibenzofuran-4-yl-4a,9a-dihydrocarbazole
SMILESCC1CC(c2ccc(N3c4cc(-c5cccc6c5oc5ccccc56)ccc4C4C=CC=CC43)cc2)=Cc2c1c(C1=CC=CCC1)c1ccccc1c2-c1ccccc1
InChIInChI=1S/C57H43NO/c1-36-33-41(34-50-54(36)56(39-17-6-3-7-18-39)48-22-9-8-21-47(48)55(50)38-15-4-2-5-16-38)37-27-30-42(31-28-37)58-51-25-12-10-19-44(51)45-32-29-40(35-52(45)58)43-23-14-24-49-46-20-11-13-26-53(46)59-57(43)49/h2-6,8-17,19-32,34-36,44,51H,7,18,33H2,1H3
InChIKeyGAXZDBZADSVTGD-UHFFFAOYSA-N
XLogP15.58
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.98
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-[4-(10-cyclohexa-1,3-dien-1-yl-4-methyl-9-phenyl-3,4-dihydroanthracen-2-yl)phenyl]-7-dibenzofuran-4-yl-4a,9a-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

7-[3-(9-cyclohexa-1,3-dien-1-yl-9H-fluoren-3-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-4a,9a-dihydrocarbazole
CID 144640484
7-[9-(2-phenyldibenzofuran-4-yl)-4b,8a-dihydrocarbazol-2-yl]-9-(2-phenylphenyl)-1,2-dihydrocarbazole
CID 167200383
9-[6-[3-[2-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163612002
9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163719008
3,6-di(dibenzofuran-4-yl)-9-(10-phenylanthracen-9-yl)carbazole
CID 87156847
3-cyclohexa-1,3-dien-1-yl-9-(2-dibenzofuran-4-yl-9-phenylcarbazol-4-yl)-6-phenylcarbazole
CID 163435129
9-(4-dibenzofuran-4-ylphenyl)-3-[(9-phenyl-4b,8a-dihydrocarbazol-3-yl)methyl]carbazole
CID 155237382
9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-[5-cyclohexa-1,3-dien-1-yl-7-(3-dibenzofuran-2-ylphenyl)-3-methyl-3,4-dihydro-2H-azepin-2-yl]phenyl]carbazole
CID 147751849
8-(8-cyclohexa-1,3-dien-1-yldibenzofuran-2-yl)-16-(8-phenyldibenzofuran-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
CID 163487092
3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87153723
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
CID 87156543

Frequently Asked Questions

What is the IUPAC name of 9-[4-(10-cyclohexa-1,3-dien-1-yl-4-methyl-9-phenyl-3,4-dihydroanthracen-2-yl)phenyl]-7-dibenzofuran-4-yl-4a,9a-dihydrocarbazole?
The IUPAC name of 9-[4-(10-cyclohexa-1,3-dien-1-yl-4-methyl-9-phenyl-3,4-dihydroanthracen-2-yl)phenyl]-7-dibenzofuran-4-yl-4a,9a-dihydrocarbazole (CID 123729608) is 9-[4-(10-cyclohexa-1,3-dien-1-yl-4-methyl-9-phenyl-3,4-dihydroanthracen-2-yl)phenyl]-7-dibenzofuran-4-yl-4a,9a-dihydrocarbazole.
What is the SMILES notation for 9-[4-(10-cyclohexa-1,3-dien-1-yl-4-methyl-9-phenyl-3,4-dihydroanthracen-2-yl)phenyl]-7-dibenzofuran-4-yl-4a,9a-dihydrocarbazole?
The canonical SMILES for 9-[4-(10-cyclohexa-1,3-dien-1-yl-4-methyl-9-phenyl-3,4-dihydroanthracen-2-yl)phenyl]-7-dibenzofuran-4-yl-4a,9a-dihydrocarbazole is CC1CC(c2ccc(N3c4cc(-c5cccc6c5oc5ccccc56)ccc4C4C=CC=CC43)cc2)=Cc2c1c(C1=CC=CCC1)c1ccccc1c2-c1ccccc1.
What is the InChIKey of 9-[4-(10-cyclohexa-1,3-dien-1-yl-4-methyl-9-phenyl-3,4-dihydroanthracen-2-yl)phenyl]-7-dibenzofuran-4-yl-4a,9a-dihydrocarbazole?
The InChIKey is GAXZDBZADSVTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43NO/c1-36-33-41(34-50-54(36)56(39-17-6-3-7-18-39)48-22-9-8-21-47(48)55(50)38-15-4-2-5-16-38)37-27-30-42(31-28-37)58-51-25-12-10-19-44(51)45-32-29-40(35-52(45)58)43-23-14-24-49-46-20-11-13-26-53(46)59-57(43)49/h2-6,8-17,19-32,34-36,44,51H,7,18,33H2,1H3.
What are the key properties of 9-[4-(10-cyclohexa-1,3-dien-1-yl-4-methyl-9-phenyl-3,4-dihydroanthracen-2-yl)phenyl]-7-dibenzofuran-4-yl-4a,9a-dihydrocarbazole?
9-[4-(10-cyclohexa-1,3-dien-1-yl-4-methyl-9-phenyl-3,4-dihydroanthracen-2-yl)phenyl]-7-dibenzofuran-4-yl-4a,9a-dihydrocarbazole has a molecular weight of 757.98 g/mol, XLogP of 15.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(10-cyclohexa-1,3-dien-1-yl-4-methyl-9-phenyl-3,4-dihydroanthracen-2-yl)phenyl]-7-dibenzofuran-4-yl-4a,9a-dihydrocarbazole is sourced from PubChem (CID 123729608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).