9-[3-(6,7-dihydrodibenzofuran-3-yl)cyclohexa-1,5-dien-1-yl]-3-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-3,4,5,6-tetrahydrocarbazole

C53H44N2O — CID 118122999

IUPAC9-[3-(6,7-dihydrodibenzofuran-3-yl)cyclohexa-1,5-dien-1-yl]-3-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-3,4,5,6-tetrahydrocarbazole
SMILESC1=Cc2c(oc3cc(C4C=C(n5c6c(c7c5C=CC(c5cccc(C8=CC(c9ccccc9)NC(c9ccccc9)=C8)c5)C7)CCC=C6)C=CC4)ccc23)CC1
InChIInChI=1S/C53H44N2O/c1-3-13-35(14-4-1)48-32-42(33-49(54-48)36-15-5-2-6-16-36)38-18-11-17-37(29-38)40-26-28-51-47(31-40)44-21-7-9-23-50(44)55(51)43-20-12-19-39(30-43)41-25-27-46-45-22-8-10-24-52(45)56-53(46)34-41/h1-6,8-9,11-18,20,22-23,25-30,32-34,39-40,48,54H,7,10,19,21,24,31H2
InChIKeyGKYPHNYHBSZAIR-UHFFFAOYSA-N
MW724.95 g/mol
LogP12.86
Rot. Bonds6

About 9-[3-(6,7-dihydrodibenzofuran-3-yl)cyclohexa-1,5-dien-1-yl]-3-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-3,4,5,6-tetrahydrocarbazole

9-[3-(6,7-dihydrodibenzofuran-3-yl)cyclohexa-1,5-dien-1-yl]-3-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-3,4,5,6-tetrahydrocarbazole (PubChem CID 118122999) has the molecular formula C53H44N2O and a molecular weight of 724.95 g/mol. Its IUPAC name is 9-[3-(6,7-dihydrodibenzofuran-3-yl)cyclohexa-1,5-dien-1-yl]-3-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-3,4,5,6-tetrahydrocarbazole.

Molecular Properties

Compound Name9-[3-(6,7-dihydrodibenzofuran-3-yl)cyclohexa-1,5-dien-1-yl]-3-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-3,4,5,6-tetrahydrocarbazole
PubChem CID118122999
Molecular FormulaC53H44N2O
Molecular Weight724.95 g/mol
Exact Mass724.35
IUPAC Name9-[3-(6,7-dihydrodibenzofuran-3-yl)cyclohexa-1,5-dien-1-yl]-3-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-3,4,5,6-tetrahydrocarbazole
SMILESC1=Cc2c(oc3cc(C4C=C(n5c6c(c7c5C=CC(c5cccc(C8=CC(c9ccccc9)NC(c9ccccc9)=C8)c5)C7)CCC=C6)C=CC4)ccc23)CC1
InChIInChI=1S/C53H44N2O/c1-3-13-35(14-4-1)48-32-42(33-49(54-48)36-15-5-2-6-16-36)38-18-11-17-37(29-38)40-26-28-51-47(31-40)44-21-7-9-23-50(44)55(51)43-20-12-19-39(30-43)41-25-27-46-45-22-8-10-24-52(45)56-53(46)34-41/h1-6,8-9,11-18,20,22-23,25-30,32-34,39-40,48,54H,7,10,19,21,24,31H2
InChIKeyGKYPHNYHBSZAIR-UHFFFAOYSA-N
XLogP12.86
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.95
LogP ≤ 512.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-[3-(6,7-dihydrodibenzofuran-3-yl)cyclohexa-1,5-dien-1-yl]-3-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-3,4,5,6-tetrahydrocarbazole with MolForge

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Related Compounds

9-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]carbazole
CID 130180910
5-(2,6-diphenyl-1,2-dihydropyridin-4-yl)-3-prop-1-en-2-yl-9,10-dihydro-8H-cyclohepta[b]indole;ethane
CID 145333930
2-(7-naphthalen-2-yl-6,7-dihydrodibenzofuran-3-yl)-4,6-diphenylpyrimidine
CID 167403198
3-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenyl-3,4-dihydrocarbazole
CID 166953173
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,2-dihydropyridine
CID 145212320
7-phenyl-16-[3-(16-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)cyclohexa-1,5-dien-1-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene
CID 143905918
7-[3-[3-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)phenyl]phenyl]-11,12-dihydrophenanthro[9,10-b]pyridine
CID 137307548
N-(6,7-dihydrodibenzofuran-3-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 131997661
5-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-12H-indolo[3,2-c]carbazole
CID 71135374
2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)-6-(3,4,5,6-tetrahydrocarbazol-9-yl)benzonitrile
CID 163919039
6,7-dihydrodibenzofuran-3-amine
CID 146429939
15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-12-phenyl-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18(23),21,26-undecaene
CID 137095920

Frequently Asked Questions

What is the IUPAC name of 9-[3-(6,7-dihydrodibenzofuran-3-yl)cyclohexa-1,5-dien-1-yl]-3-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-3,4,5,6-tetrahydrocarbazole?
The IUPAC name of 9-[3-(6,7-dihydrodibenzofuran-3-yl)cyclohexa-1,5-dien-1-yl]-3-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-3,4,5,6-tetrahydrocarbazole (CID 118122999) is 9-[3-(6,7-dihydrodibenzofuran-3-yl)cyclohexa-1,5-dien-1-yl]-3-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-3,4,5,6-tetrahydrocarbazole.
What is the SMILES notation for 9-[3-(6,7-dihydrodibenzofuran-3-yl)cyclohexa-1,5-dien-1-yl]-3-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-3,4,5,6-tetrahydrocarbazole?
The canonical SMILES for 9-[3-(6,7-dihydrodibenzofuran-3-yl)cyclohexa-1,5-dien-1-yl]-3-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-3,4,5,6-tetrahydrocarbazole is C1=Cc2c(oc3cc(C4C=C(n5c6c(c7c5C=CC(c5cccc(C8=CC(c9ccccc9)NC(c9ccccc9)=C8)c5)C7)CCC=C6)C=CC4)ccc23)CC1.
What is the InChIKey of 9-[3-(6,7-dihydrodibenzofuran-3-yl)cyclohexa-1,5-dien-1-yl]-3-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-3,4,5,6-tetrahydrocarbazole?
The InChIKey is GKYPHNYHBSZAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H44N2O/c1-3-13-35(14-4-1)48-32-42(33-49(54-48)36-15-5-2-6-16-36)38-18-11-17-37(29-38)40-26-28-51-47(31-40)44-21-7-9-23-50(44)55(51)43-20-12-19-39(30-43)41-25-27-46-45-22-8-10-24-52(45)56-53(46)34-41/h1-6,8-9,11-18,20,22-23,25-30,32-34,39-40,48,54H,7,10,19,21,24,31H2.
What are the key properties of 9-[3-(6,7-dihydrodibenzofuran-3-yl)cyclohexa-1,5-dien-1-yl]-3-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-3,4,5,6-tetrahydrocarbazole?
9-[3-(6,7-dihydrodibenzofuran-3-yl)cyclohexa-1,5-dien-1-yl]-3-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-3,4,5,6-tetrahydrocarbazole has a molecular weight of 724.95 g/mol, XLogP of 12.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(6,7-dihydrodibenzofuran-3-yl)cyclohexa-1,5-dien-1-yl]-3-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-3,4,5,6-tetrahydrocarbazole is sourced from PubChem (CID 118122999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).