3-[8-(3,4-dihydrocarbazol-9-yl)-6,7-dihydrodibenzofuran-2-yl]-9-[2-(3-phenyl-3,4-dihydropyridin-2-yl)phenyl]-1,2-dihydrocarbazole

C53H41N3O — CID 163921566

IUPAC3-[8-(3,4-dihydrocarbazol-9-yl)-6,7-dihydrodibenzofuran-2-yl]-9-[2-(3-phenyl-3,4-dihydropyridin-2-yl)phenyl]-1,2-dihydrocarbazole
SMILESC1=Cc2c(c3ccccc3n2C2=Cc3c(oc4ccc(C5=Cc6c(n(-c7ccccc7C7=NC=CCC7c7ccccc7)c7ccccc67)CC5)cc34)CC2)CC1
InChIInChI=1S/C53H41N3O/c1-2-13-34(14-3-1)38-19-12-30-54-53(38)42-18-7-11-23-49(42)56-48-22-10-6-17-41(48)43-31-35(24-27-50(43)56)36-25-28-51-44(32-36)45-33-37(26-29-52(45)57-51)55-46-20-8-4-15-39(46)40-16-5-9-21-47(40)55/h1-4,6-15,17-18,20-23,25,28,30-33,38H,5,16,19,24,26-27,29H2
InChIKeyRAVLXEZCZKVYBM-UHFFFAOYSA-N
MW735.93 g/mol
LogP13.21
Rot. Bonds5

About 3-[8-(3,4-dihydrocarbazol-9-yl)-6,7-dihydrodibenzofuran-2-yl]-9-[2-(3-phenyl-3,4-dihydropyridin-2-yl)phenyl]-1,2-dihydrocarbazole

3-[8-(3,4-dihydrocarbazol-9-yl)-6,7-dihydrodibenzofuran-2-yl]-9-[2-(3-phenyl-3,4-dihydropyridin-2-yl)phenyl]-1,2-dihydrocarbazole (PubChem CID 163921566) has the molecular formula C53H41N3O and a molecular weight of 735.93 g/mol. Its IUPAC name is 3-[8-(3,4-dihydrocarbazol-9-yl)-6,7-dihydrodibenzofuran-2-yl]-9-[2-(3-phenyl-3,4-dihydropyridin-2-yl)phenyl]-1,2-dihydrocarbazole.

Molecular Properties

Compound Name3-[8-(3,4-dihydrocarbazol-9-yl)-6,7-dihydrodibenzofuran-2-yl]-9-[2-(3-phenyl-3,4-dihydropyridin-2-yl)phenyl]-1,2-dihydrocarbazole
PubChem CID163921566
Molecular FormulaC53H41N3O
Molecular Weight735.93 g/mol
Exact Mass735.32
IUPAC Name3-[8-(3,4-dihydrocarbazol-9-yl)-6,7-dihydrodibenzofuran-2-yl]-9-[2-(3-phenyl-3,4-dihydropyridin-2-yl)phenyl]-1,2-dihydrocarbazole
SMILESC1=Cc2c(c3ccccc3n2C2=Cc3c(oc4ccc(C5=Cc6c(n(-c7ccccc7C7=NC=CCC7c7ccccc7)c7ccccc67)CC5)cc34)CC2)CC1
InChIInChI=1S/C53H41N3O/c1-2-13-34(14-3-1)38-19-12-30-54-53(38)42-18-7-11-23-49(42)56-48-22-10-6-17-41(48)43-31-35(24-27-50(43)56)36-25-28-51-44(32-36)45-33-37(26-29-52(45)57-51)55-46-20-8-4-15-39(46)40-16-5-9-21-47(40)55/h1-4,6-15,17-18,20-23,25,28,30-33,38H,5,16,19,24,26-27,29H2
InChIKeyRAVLXEZCZKVYBM-UHFFFAOYSA-N
XLogP13.21
TPSA35.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.93
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[8-(3,4-dihydrocarbazol-9-yl)-6,7-dihydrodibenzofuran-2-yl]-9-[2-(3-phenyl-3,4-dihydropyridin-2-yl)phenyl]-1,2-dihydrocarbazole with MolForge

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Related Compounds

9-cyclohexa-2,4-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzofuran-2-yl)-1,2-dihydroquinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole
CID 70913238
2-(8-phenyl-6,7-dihydrodibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170136343
9-[2-[2-[2-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole
CID 130218112
3-[6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 144585567
9-[2-(6,7-dihydrodibenzofuran-2-yl)phenyl]-5,6,7,8-tetrahydrocarbazol-4-amine
CID 139566102
9-[18-[3-(8-phenyldibenzofuran-2-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-yl]-1,2-dihydrocarbazole
CID 67953551
9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-(7-phenyl-3,4-dihydrocarbazol-9-yl)carbazole
CID 170082267
2-[4-(3,4-dihydrodibenzofuran-2-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 142352795
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(2-phenylphenyl)-1,2-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole
CID 139455669
8-[4-amino-2-(3,4-dihydrocarbazol-9-yl)phenyl]-1,2-dihydrodibenzofuran-2-amine
CID 139566045
3-phenyl-9-[8-(3-phenyl-1,2-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazole
CID 69285159
9-[9-(2-phenyl-1,2-dihydroquinazolin-4-yl)dibenzofuran-4-yl]-1,2-dihydrocarbazole
CID 167200869

Frequently Asked Questions

What is the IUPAC name of 3-[8-(3,4-dihydrocarbazol-9-yl)-6,7-dihydrodibenzofuran-2-yl]-9-[2-(3-phenyl-3,4-dihydropyridin-2-yl)phenyl]-1,2-dihydrocarbazole?
The IUPAC name of 3-[8-(3,4-dihydrocarbazol-9-yl)-6,7-dihydrodibenzofuran-2-yl]-9-[2-(3-phenyl-3,4-dihydropyridin-2-yl)phenyl]-1,2-dihydrocarbazole (CID 163921566) is 3-[8-(3,4-dihydrocarbazol-9-yl)-6,7-dihydrodibenzofuran-2-yl]-9-[2-(3-phenyl-3,4-dihydropyridin-2-yl)phenyl]-1,2-dihydrocarbazole.
What is the SMILES notation for 3-[8-(3,4-dihydrocarbazol-9-yl)-6,7-dihydrodibenzofuran-2-yl]-9-[2-(3-phenyl-3,4-dihydropyridin-2-yl)phenyl]-1,2-dihydrocarbazole?
The canonical SMILES for 3-[8-(3,4-dihydrocarbazol-9-yl)-6,7-dihydrodibenzofuran-2-yl]-9-[2-(3-phenyl-3,4-dihydropyridin-2-yl)phenyl]-1,2-dihydrocarbazole is C1=Cc2c(c3ccccc3n2C2=Cc3c(oc4ccc(C5=Cc6c(n(-c7ccccc7C7=NC=CCC7c7ccccc7)c7ccccc67)CC5)cc34)CC2)CC1.
What is the InChIKey of 3-[8-(3,4-dihydrocarbazol-9-yl)-6,7-dihydrodibenzofuran-2-yl]-9-[2-(3-phenyl-3,4-dihydropyridin-2-yl)phenyl]-1,2-dihydrocarbazole?
The InChIKey is RAVLXEZCZKVYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H41N3O/c1-2-13-34(14-3-1)38-19-12-30-54-53(38)42-18-7-11-23-49(42)56-48-22-10-6-17-41(48)43-31-35(24-27-50(43)56)36-25-28-51-44(32-36)45-33-37(26-29-52(45)57-51)55-46-20-8-4-15-39(46)40-16-5-9-21-47(40)55/h1-4,6-15,17-18,20-23,25,28,30-33,38H,5,16,19,24,26-27,29H2.
What are the key properties of 3-[8-(3,4-dihydrocarbazol-9-yl)-6,7-dihydrodibenzofuran-2-yl]-9-[2-(3-phenyl-3,4-dihydropyridin-2-yl)phenyl]-1,2-dihydrocarbazole?
3-[8-(3,4-dihydrocarbazol-9-yl)-6,7-dihydrodibenzofuran-2-yl]-9-[2-(3-phenyl-3,4-dihydropyridin-2-yl)phenyl]-1,2-dihydrocarbazole has a molecular weight of 735.93 g/mol, XLogP of 13.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(3,4-dihydrocarbazol-9-yl)-6,7-dihydrodibenzofuran-2-yl]-9-[2-(3-phenyl-3,4-dihydropyridin-2-yl)phenyl]-1,2-dihydrocarbazole is sourced from PubChem (CID 163921566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).