9-[6-[9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-3-en-2-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]carbazole

C51H33N4OS- — CID 163561171

IUPAC9-[6-[9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-3-en-2-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]carbazole
SMILESc1ccc(C2=NC(c3cccc4oc5cc(-c6cccc7c6sc6c(-n8c9ccccc9c9ccccc98)cccc67)ccc5c34)NC(c3ccccc3)[N-]2)cc1
InChIInChI=1S/C51H33N4OS/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)40-23-13-27-44-46(40)39-29-28-33(30-45(39)56-44)34-20-11-21-37-38-22-12-26-43(48(38)57-47(34)37)55-41-24-9-7-18-35(41)36-19-8-10-25-42(36)55/h1-30,49,51,53H/q-1
InChIKeyFRIGNHSGPHBRCQ-UHFFFAOYSA-N
MW749.92 g/mol
LogP13.84
Rot. Bonds5

About 9-[6-[9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-3-en-2-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]carbazole

9-[6-[9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-3-en-2-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]carbazole (PubChem CID 163561171) has the molecular formula C51H33N4OS- and a molecular weight of 749.92 g/mol. Its IUPAC name is 9-[6-[9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-3-en-2-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]carbazole.

Molecular Properties

Compound Name9-[6-[9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-3-en-2-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]carbazole
PubChem CID163561171
Molecular FormulaC51H33N4OS-
Molecular Weight749.92 g/mol
Exact Mass749.24
IUPAC Name9-[6-[9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-3-en-2-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]carbazole
SMILESc1ccc(C2=NC(c3cccc4oc5cc(-c6cccc7c6sc6c(-n8c9ccccc9c9ccccc98)cccc67)ccc5c34)NC(c3ccccc3)[N-]2)cc1
InChIInChI=1S/C51H33N4OS/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)40-23-13-27-44-46(40)39-29-28-33(30-45(39)56-44)34-20-11-21-37-38-22-12-26-43(48(38)57-47(34)37)55-41-24-9-7-18-35(41)36-19-8-10-25-42(36)55/h1-30,49,51,53H/q-1
InChIKeyFRIGNHSGPHBRCQ-UHFFFAOYSA-N
XLogP13.84
TPSA56.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.92
LogP ≤ 513.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-1-yl-4-[3-[3-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-6-phenyl-1,3-diaza-5-azanidacyclohex-3-ene
CID 145340270
9-[7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]carbazole
CID 169011347
9-[7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole
CID 169011119
9-[8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-1-yl]carbazole
CID 169010902
9-[7-[7-(4,6-diphenyl-1,5-diaza-3-azanidacyclohex-5-en-2-yl)dibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole
CID 163570136
9-[6-[9-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]dibenzofuran-1-yl]carbazole
CID 166962038
9-[7-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole
CID 163906905
9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole
CID 163525091
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-18-yl]carbazole
CID 146664823
12-(7-dibenzothiophen-4-yldibenzofuran-4-yl)-[1]benzofuro[3,2-a]carbazole
CID 170277042
9-(8-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)-2-phenylcarbazole
CID 147837275
9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole
CID 153011872

Frequently Asked Questions

What is the IUPAC name of 9-[6-[9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-3-en-2-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]carbazole?
The IUPAC name of 9-[6-[9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-3-en-2-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]carbazole (CID 163561171) is 9-[6-[9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-3-en-2-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]carbazole.
What is the SMILES notation for 9-[6-[9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-3-en-2-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]carbazole?
The canonical SMILES for 9-[6-[9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-3-en-2-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]carbazole is c1ccc(C2=NC(c3cccc4oc5cc(-c6cccc7c6sc6c(-n8c9ccccc9c9ccccc98)cccc67)ccc5c34)NC(c3ccccc3)[N-]2)cc1.
What is the InChIKey of 9-[6-[9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-3-en-2-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]carbazole?
The InChIKey is FRIGNHSGPHBRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N4OS/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)40-23-13-27-44-46(40)39-29-28-33(30-45(39)56-44)34-20-11-21-37-38-22-12-26-43(48(38)57-47(34)37)55-41-24-9-7-18-35(41)36-19-8-10-25-42(36)55/h1-30,49,51,53H/q-1.
What are the key properties of 9-[6-[9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-3-en-2-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]carbazole?
9-[6-[9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-3-en-2-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]carbazole has a molecular weight of 749.92 g/mol, XLogP of 13.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-3-en-2-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]carbazole is sourced from PubChem (CID 163561171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).