3-cyclohexa-2,4-dien-1-yl-5-phenyl-1-[4-(8-phenyldibenzofuran-2-yl)phenyl]indole

C44H31NO — CID 126620697

IUPAC3-cyclohexa-2,4-dien-1-yl-5-phenyl-1-[4-(8-phenyldibenzofuran-2-yl)phenyl]indole
SMILESC1=CCC(c2cn(-c3ccc(-c4ccc5oc6ccc(-c7ccccc7)cc6c5c4)cc3)c3ccc(-c4ccccc4)cc23)C=C1
InChIInChI=1S/C44H31NO/c1-4-10-30(11-5-1)34-18-23-42-38(26-34)41(33-14-8-3-9-15-33)29-45(42)37-21-16-32(17-22-37)36-20-25-44-40(28-36)39-27-35(19-24-43(39)46-44)31-12-6-2-7-13-31/h1-14,16-29,33H,15H2
InChIKeyALRMHRZPIUTILI-UHFFFAOYSA-N
MW589.74 g/mol
LogP12.13
Rot. Bonds5

About 3-cyclohexa-2,4-dien-1-yl-5-phenyl-1-[4-(8-phenyldibenzofuran-2-yl)phenyl]indole

3-cyclohexa-2,4-dien-1-yl-5-phenyl-1-[4-(8-phenyldibenzofuran-2-yl)phenyl]indole (PubChem CID 126620697) has the molecular formula C44H31NO and a molecular weight of 589.74 g/mol. Its IUPAC name is 3-cyclohexa-2,4-dien-1-yl-5-phenyl-1-[4-(8-phenyldibenzofuran-2-yl)phenyl]indole.

Molecular Properties

Compound Name3-cyclohexa-2,4-dien-1-yl-5-phenyl-1-[4-(8-phenyldibenzofuran-2-yl)phenyl]indole
PubChem CID126620697
Molecular FormulaC44H31NO
Molecular Weight589.74 g/mol
Exact Mass589.24
IUPAC Name3-cyclohexa-2,4-dien-1-yl-5-phenyl-1-[4-(8-phenyldibenzofuran-2-yl)phenyl]indole
SMILESC1=CCC(c2cn(-c3ccc(-c4ccc5oc6ccc(-c7ccccc7)cc6c5c4)cc3)c3ccc(-c4ccccc4)cc23)C=C1
InChIInChI=1S/C44H31NO/c1-4-10-30(11-5-1)34-18-23-42-38(26-34)41(33-14-8-3-9-15-33)29-45(42)37-21-16-32(17-22-37)36-20-25-44-40(28-36)39-27-35(19-24-43(39)46-44)31-12-6-2-7-13-31/h1-14,16-29,33H,15H2
InChIKeyALRMHRZPIUTILI-UHFFFAOYSA-N
XLogP12.13
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexa-2,4-dien-1-yl-5-phenyl-1-[4-(8-phenyldibenzofuran-2-yl)phenyl]indole 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

1-[4-(8-phenyldibenzofuran-2-yl)phenyl]-3,5-bis(4-phenylphenyl)indole
CID 126620700
4-cyclohexa-2,4-dien-1-yl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 58569514
3-cyclohexa-2,4-dien-1-yl-9-methyl-6-phenylcarbazole
CID 71176031
6-cyclohexa-2,4-dien-1-yl-12,18-diphenyl-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 71059027
3-(3-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)-6,9-diphenylcarbazole
CID 70995676
1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-bis(4-phenylphenyl)indole;1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-bis[4-(4-phenylphenyl)phenyl]indole;1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylindole
CID 158939023
3,5-diphenyl-1-[4-(6-phenyldibenzofuran-4-yl)phenyl]indole;3,5-diphenyl-1-[4-(8-phenyldibenzofuran-2-yl)phenyl]indole;1-[4-(6-phenyldibenzofuran-4-yl)phenyl]-3,5-bis(4-phenylphenyl)indole
CID 162223458
6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran
CID 175970496
9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-2-ylcarbazole
CID 163775601
3-carbazol-9-yl-9-[2-cyclohexa-2,4-dien-1-yl-4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 167403558
9-[2-cyclohexa-2,4-dien-1-yl-4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]-1,3,6,8-tetraphenylcarbazole
CID 165020345
3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488387

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-2,4-dien-1-yl-5-phenyl-1-[4-(8-phenyldibenzofuran-2-yl)phenyl]indole?
The IUPAC name of 3-cyclohexa-2,4-dien-1-yl-5-phenyl-1-[4-(8-phenyldibenzofuran-2-yl)phenyl]indole (CID 126620697) is 3-cyclohexa-2,4-dien-1-yl-5-phenyl-1-[4-(8-phenyldibenzofuran-2-yl)phenyl]indole.
What is the SMILES notation for 3-cyclohexa-2,4-dien-1-yl-5-phenyl-1-[4-(8-phenyldibenzofuran-2-yl)phenyl]indole?
The canonical SMILES for 3-cyclohexa-2,4-dien-1-yl-5-phenyl-1-[4-(8-phenyldibenzofuran-2-yl)phenyl]indole is C1=CCC(c2cn(-c3ccc(-c4ccc5oc6ccc(-c7ccccc7)cc6c5c4)cc3)c3ccc(-c4ccccc4)cc23)C=C1.
What is the InChIKey of 3-cyclohexa-2,4-dien-1-yl-5-phenyl-1-[4-(8-phenyldibenzofuran-2-yl)phenyl]indole?
The InChIKey is ALRMHRZPIUTILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31NO/c1-4-10-30(11-5-1)34-18-23-42-38(26-34)41(33-14-8-3-9-15-33)29-45(42)37-21-16-32(17-22-37)36-20-25-44-40(28-36)39-27-35(19-24-43(39)46-44)31-12-6-2-7-13-31/h1-14,16-29,33H,15H2.
What are the key properties of 3-cyclohexa-2,4-dien-1-yl-5-phenyl-1-[4-(8-phenyldibenzofuran-2-yl)phenyl]indole?
3-cyclohexa-2,4-dien-1-yl-5-phenyl-1-[4-(8-phenyldibenzofuran-2-yl)phenyl]indole has a molecular weight of 589.74 g/mol, XLogP of 12.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-2,4-dien-1-yl-5-phenyl-1-[4-(8-phenyldibenzofuran-2-yl)phenyl]indole is sourced from PubChem (CID 126620697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).