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

C53H42N2O — CID 118123060

IUPAC3-[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
SMILESC1=CCC(C2=CC(c3ccccc3)NC(C3C=CC(C4=Cc5c(n(-c6cccc(-c7cccc8c7oc7ccccc78)c6)c6ccccc56)CC4)=CC3)=C2)C=C1
InChIInChI=1S/C53H42N2O/c1-3-13-35(14-4-1)41-33-48(37-15-5-2-6-16-37)54-49(34-41)38-27-25-36(26-28-38)39-29-30-51-47(32-39)44-19-7-9-23-50(44)55(51)42-18-11-17-40(31-42)43-21-12-22-46-45-20-8-10-24-52(45)56-53(43)46/h1-13,15-27,31-35,38,48,54H,14,28-30H2
InChIKeyUJIAHRNLGADEOL-UHFFFAOYSA-N
MW722.93 g/mol
LogP13.32
Rot. Bonds6

About 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

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 (PubChem CID 118123060) has the molecular formula C53H42N2O and a molecular weight of 722.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID118123060
Molecular FormulaC53H42N2O
Molecular Weight722.93 g/mol
Exact Mass722.33
IUPAC Name3-[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
SMILESC1=CCC(C2=CC(c3ccccc3)NC(C3C=CC(C4=Cc5c(n(-c6cccc(-c7cccc8c7oc7ccccc78)c6)c6ccccc56)CC4)=CC3)=C2)C=C1
InChIInChI=1S/C53H42N2O/c1-3-13-35(14-4-1)41-33-48(37-15-5-2-6-16-37)54-49(34-41)38-27-25-36(26-28-38)39-29-30-51-47(32-39)44-19-7-9-23-50(44)55(51)42-18-11-17-40(31-42)43-21-12-22-46-45-20-8-10-24-52(45)56-53(43)46/h1-13,15-27,31-35,38,48,54H,14,28-30H2
InChIKeyUJIAHRNLGADEOL-UHFFFAOYSA-N
XLogP13.32
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.93
LogP ≤ 513.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

9-[3-(6-cyclohexa-2,4-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-3-dibenzofuran-4-yl-6-phenylcarbazole
CID 145067647
9-(3-dibenzofuran-4-ylphenyl)-1H-pyrido[3,4-b]indol-2-ide
CID 163777675
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine
CID 175631019
9-(1,8a-dihydronaphthalen-2-yl)-3-dibenzofuran-4-yl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126589944
3-[4-[9-(3-cyclohexa-2,4-dien-1-ylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 145055677
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
2-dibenzofuran-4-yl-9-(3-triphenylen-2-ylphenyl)carbazole
CID 87156606
2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 166509994
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
6-(6-dibenzofuran-4-yldibenzofuran-2-yl)-9-phenyl-1,2-dihydrocarbazole-3-carbonitrile
CID 155160115
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CCC(C2=CC(c3ccccc3)NC(C3C=CC(C4=Cc5c(n(-c6cccc(-c7cccc8c7oc7ccccc78)c6)c6ccccc56)CC4)=CC3)=C2)C=C1.
What is the InChIKey of 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?
The InChIKey is UJIAHRNLGADEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H42N2O/c1-3-13-35(14-4-1)41-33-48(37-15-5-2-6-16-37)54-49(34-41)38-27-25-36(26-28-38)39-29-30-51-47(32-39)44-19-7-9-23-50(44)55(51)42-18-11-17-40(31-42)43-21-12-22-46-45-20-8-10-24-52(45)56-53(43)46/h1-13,15-27,31-35,38,48,54H,14,28-30H2.
What are the key properties of 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?
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 has a molecular weight of 722.93 g/mol, XLogP of 13.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118123060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).