9-dibenzofuran-4-yl-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-3-en-2-yl]-2,3-dihydrocarbazole

C51H37N4O- — CID 163554743

IUPAC9-dibenzofuran-4-yl-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-3-en-2-yl]-2,3-dihydrocarbazole
SMILESC1=c2c(n(-c3cccc4c3oc3ccccc34)c3cc(C4N=C(c5cccc(-c6ccccc6)c5)NC(c5ccc(-c6ccccc6)cc5)[N-]4)ccc23)=CCC1
InChIInChI=1S/C51H37N4O/c1-3-13-33(14-4-1)35-25-27-36(28-26-35)49-52-50(38-18-11-17-37(31-38)34-15-5-2-6-16-34)54-51(53-49)39-29-30-41-40-19-7-9-22-44(40)55(46(41)32-39)45-23-12-21-43-42-20-8-10-24-47(42)56-48(43)45/h1-6,8,10-32,49,51H,7,9H2,(H,52,54)/q-1
InChIKeyFMBQXUZPDNJRRI-UHFFFAOYSA-N
MW721.88 g/mol
LogP11.34
Rot. Bonds6

About 9-dibenzofuran-4-yl-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-3-en-2-yl]-2,3-dihydrocarbazole

9-dibenzofuran-4-yl-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-3-en-2-yl]-2,3-dihydrocarbazole (PubChem CID 163554743) has the molecular formula C51H37N4O- and a molecular weight of 721.88 g/mol. Its IUPAC name is 9-dibenzofuran-4-yl-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-3-en-2-yl]-2,3-dihydrocarbazole.

Molecular Properties

Compound Name9-dibenzofuran-4-yl-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-3-en-2-yl]-2,3-dihydrocarbazole
PubChem CID163554743
Molecular FormulaC51H37N4O-
Molecular Weight721.88 g/mol
Exact Mass721.30
IUPAC Name9-dibenzofuran-4-yl-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-3-en-2-yl]-2,3-dihydrocarbazole
SMILESC1=c2c(n(-c3cccc4c3oc3ccccc34)c3cc(C4N=C(c5cccc(-c6ccccc6)c5)NC(c5ccc(-c6ccccc6)cc5)[N-]4)ccc23)=CCC1
InChIInChI=1S/C51H37N4O/c1-3-13-33(14-4-1)35-25-27-36(28-26-35)49-52-50(38-18-11-17-37(31-38)34-15-5-2-6-16-34)54-51(53-49)39-29-30-41-40-19-7-9-22-44(40)55(46(41)32-39)45-23-12-21-43-42-20-8-10-24-47(42)56-48(43)45/h1-6,8,10-32,49,51H,7,9H2,(H,52,54)/q-1
InChIKeyFMBQXUZPDNJRRI-UHFFFAOYSA-N
XLogP11.34
TPSA56.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.88
LogP ≤ 511.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole
CID 166668278
5-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-9-[2-(3-phenylphenyl)dibenzofuran-4-yl]-2,3-dihydrocarbazole
CID 139556106
9-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 146395780
9-[7-[4-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-2-yl]dibenzofuran-4-yl]carbazole
CID 166961182
2-[3-(4-bromophenyl)phenyl]-9-dibenzofuran-4-ylcarbazole
CID 118505930
5-[2-[2-(9-phenylcarbazol-2-yl)-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166699531
9-dibenzofuran-4-yl-2-[4-phenyl-2-[4-(3-phenylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidin-6-yl]carbazole
CID 139555183
5-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
CID 166668347
9-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7,8-dihydrodibenzofuran-3-yl]dibenzofuran-4-yl]carbazole
CID 166962859
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
9-[7-[7-(4,6-diphenyl-1,5-diaza-3-azanidacyclohex-5-en-2-yl)dibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole
CID 163570136
3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 138513984

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-4-yl-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-3-en-2-yl]-2,3-dihydrocarbazole?
The IUPAC name of 9-dibenzofuran-4-yl-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-3-en-2-yl]-2,3-dihydrocarbazole (CID 163554743) is 9-dibenzofuran-4-yl-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-3-en-2-yl]-2,3-dihydrocarbazole.
What is the SMILES notation for 9-dibenzofuran-4-yl-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-3-en-2-yl]-2,3-dihydrocarbazole?
The canonical SMILES for 9-dibenzofuran-4-yl-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-3-en-2-yl]-2,3-dihydrocarbazole is C1=c2c(n(-c3cccc4c3oc3ccccc34)c3cc(C4N=C(c5cccc(-c6ccccc6)c5)NC(c5ccc(-c6ccccc6)cc5)[N-]4)ccc23)=CCC1.
What is the InChIKey of 9-dibenzofuran-4-yl-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-3-en-2-yl]-2,3-dihydrocarbazole?
The InChIKey is FMBQXUZPDNJRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N4O/c1-3-13-33(14-4-1)35-25-27-36(28-26-35)49-52-50(38-18-11-17-37(31-38)34-15-5-2-6-16-34)54-51(53-49)39-29-30-41-40-19-7-9-22-44(40)55(46(41)32-39)45-23-12-21-43-42-20-8-10-24-47(42)56-48(43)45/h1-6,8,10-32,49,51H,7,9H2,(H,52,54)/q-1.
What are the key properties of 9-dibenzofuran-4-yl-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-3-en-2-yl]-2,3-dihydrocarbazole?
9-dibenzofuran-4-yl-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-3-en-2-yl]-2,3-dihydrocarbazole has a molecular weight of 721.88 g/mol, XLogP of 11.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-4-yl-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-3-en-2-yl]-2,3-dihydrocarbazole is sourced from PubChem (CID 163554743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).