9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,6-tetrahydropyridin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole

C53H40N2O — CID 166859603

IUPAC9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,6-tetrahydropyridin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole
SMILESC1=CC(C2=CC(c3ccccc3)NC(c3cccc4oc5c(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)cccc5c34)C2)=CCC1
InChIInChI=1S/C53H40N2O/c1-5-15-35(16-6-1)39-27-29-48-44(31-39)45-32-40(36-17-7-2-8-18-36)28-30-49(45)55(48)50-25-13-24-43-52-42(23-14-26-51(52)56-53(43)50)47-34-41(37-19-9-3-10-20-37)33-46(54-47)38-21-11-4-12-22-38/h1-2,4-9,11-33,46-47,54H,3,10,34H2
InChIKeyPHYCKIQDVBYLHS-UHFFFAOYSA-N
MW720.92 g/mol
LogP14.00
Rot. Bonds6

About 9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,6-tetrahydropyridin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole

9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,6-tetrahydropyridin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole (PubChem CID 166859603) has the molecular formula C53H40N2O and a molecular weight of 720.92 g/mol. Its IUPAC name is 9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,6-tetrahydropyridin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,6-tetrahydropyridin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole
PubChem CID166859603
Molecular FormulaC53H40N2O
Molecular Weight720.92 g/mol
Exact Mass720.31
IUPAC Name9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,6-tetrahydropyridin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole
SMILESC1=CC(C2=CC(c3ccccc3)NC(c3cccc4oc5c(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)cccc5c34)C2)=CCC1
InChIInChI=1S/C53H40N2O/c1-5-15-35(16-6-1)39-27-29-48-44(31-39)45-32-40(36-17-7-2-8-18-36)28-30-49(45)55(48)50-25-13-24-43-52-42(23-14-26-51(52)56-53(43)50)47-34-41(37-19-9-3-10-20-37)33-46(54-47)38-21-11-4-12-22-38/h1-2,4-9,11-33,46-47,54H,3,10,34H2
InChIKeyPHYCKIQDVBYLHS-UHFFFAOYSA-N
XLogP14.00
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.92
LogP ≤ 514.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,6-tetrahydropyridin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole with MolForge

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Related Compounds

9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 166988116
3,6-diphenyl-9-[9-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]dibenzofuran-4-yl]carbazole
CID 146337785
3,6-diphenyl-9-[9-[6-phenyl-4-(5-phenylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 167200362
3-[9-[7-(4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-yl)-8,9-dihydrodibenzofuran-4-yl]carbazol-3-yl]-9-phenylcarbazole
CID 146335767
9-[9-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 166988281
9-[9-[9-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]carbazole
CID 166962294
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 153223652
9-dibenzofuran-4-yl-2-[4-phenyl-2-[4-(3-phenylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidin-6-yl]carbazole
CID 139555183
N-[4-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 90207100
9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole
CID 130456805
9-[7-(3-methylidene-4-phenyl-2,8a-dihydro-1H-quinolin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole
CID 146336072
9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 167200797

Frequently Asked Questions

What is the IUPAC name of 9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,6-tetrahydropyridin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,6-tetrahydropyridin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole (CID 166859603) is 9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,6-tetrahydropyridin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,6-tetrahydropyridin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,6-tetrahydropyridin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole is C1=CC(C2=CC(c3ccccc3)NC(c3cccc4oc5c(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)cccc5c34)C2)=CCC1.
What is the InChIKey of 9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,6-tetrahydropyridin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole?
The InChIKey is PHYCKIQDVBYLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40N2O/c1-5-15-35(16-6-1)39-27-29-48-44(31-39)45-32-40(36-17-7-2-8-18-36)28-30-49(45)55(48)50-25-13-24-43-52-42(23-14-26-51(52)56-53(43)50)47-34-41(37-19-9-3-10-20-37)33-46(54-47)38-21-11-4-12-22-38/h1-2,4-9,11-33,46-47,54H,3,10,34H2.
What are the key properties of 9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,6-tetrahydropyridin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole?
9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,6-tetrahydropyridin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole has a molecular weight of 720.92 g/mol, XLogP of 14.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,6-tetrahydropyridin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole is sourced from PubChem (CID 166859603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).