9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile;1-methyl-2-prop-1-en-2-ylsulfanylbenzene

C48H32N4OS — CID 145179110

IUPAC9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile;1-methyl-2-prop-1-en-2-ylsulfanylbenzene
SMILESC=C(C)Sc1ccccc1C.N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2oc3c(-n4c5ccccc5c5ccccc54)cccc3c2c1
InChIInChI=1S/C38H20N4O.C10H12S/c39-21-23-12-15-34-29(18-23)30-19-24(22-40)13-16-35(30)41(34)25-14-17-37-31(20-25)28-8-5-11-36(38(28)43-37)42-32-9-3-1-6-26(32)27-7-2-4-10-33(27)42;1-8(2)11-10-7-5-4-6-9(10)3/h1-20H;4-7H,1H2,2-3H3
InChIKeyCGSDTJJBCBJCGZ-UHFFFAOYSA-N
MW712.88 g/mol
LogP13.14
Rot. Bonds4

About 9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile;1-methyl-2-prop-1-en-2-ylsulfanylbenzene

9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile;1-methyl-2-prop-1-en-2-ylsulfanylbenzene (PubChem CID 145179110) has the molecular formula C48H32N4OS and a molecular weight of 712.88 g/mol. Its IUPAC name is 9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile;1-methyl-2-prop-1-en-2-ylsulfanylbenzene.

Molecular Properties

Compound Name9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile;1-methyl-2-prop-1-en-2-ylsulfanylbenzene
PubChem CID145179110
Molecular FormulaC48H32N4OS
Molecular Weight712.88 g/mol
Exact Mass712.23
IUPAC Name9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile;1-methyl-2-prop-1-en-2-ylsulfanylbenzene
SMILESC=C(C)Sc1ccccc1C.N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2oc3c(-n4c5ccccc5c5ccccc54)cccc3c2c1
InChIInChI=1S/C38H20N4O.C10H12S/c39-21-23-12-15-34-29(18-23)30-19-24(22-40)13-16-35(30)41(34)25-14-17-37-31(20-25)28-8-5-11-36(38(28)43-37)42-32-9-3-1-6-26(32)27-7-2-4-10-33(27)42;1-8(2)11-10-7-5-4-6-9(10)3/h1-20H;4-7H,1H2,2-3H3
InChIKeyCGSDTJJBCBJCGZ-UHFFFAOYSA-N
XLogP13.14
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.88
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane
CID 145345110
9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile
CID 126754672
9-(6-cyanodibenzofuran-2-yl)carbazole-3-carbonitrile
CID 122501059
9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 122501143
9-[9-(6-cyanodibenzofuran-2-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 122501116
6-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile
CID 134343651
9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755
9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 134337735
9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile
CID 134343534
9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-isocyanocarbazole-3-carbonitrile
CID 140850520
9-[6-[3-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]propyl]dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile
CID 145345342

Frequently Asked Questions

What is the IUPAC name of 9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile;1-methyl-2-prop-1-en-2-ylsulfanylbenzene?
The IUPAC name of 9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile;1-methyl-2-prop-1-en-2-ylsulfanylbenzene (CID 145179110) is 9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile;1-methyl-2-prop-1-en-2-ylsulfanylbenzene.
What is the SMILES notation for 9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile;1-methyl-2-prop-1-en-2-ylsulfanylbenzene?
The canonical SMILES for 9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile;1-methyl-2-prop-1-en-2-ylsulfanylbenzene is C=C(C)Sc1ccccc1C.N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2oc3c(-n4c5ccccc5c5ccccc54)cccc3c2c1.
What is the InChIKey of 9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile;1-methyl-2-prop-1-en-2-ylsulfanylbenzene?
The InChIKey is CGSDTJJBCBJCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N4O.C10H12S/c39-21-23-12-15-34-29(18-23)30-19-24(22-40)13-16-35(30)41(34)25-14-17-37-31(20-25)28-8-5-11-36(38(28)43-37)42-32-9-3-1-6-26(32)27-7-2-4-10-33(27)42;1-8(2)11-10-7-5-4-6-9(10)3/h1-20H;4-7H,1H2,2-3H3.
What are the key properties of 9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile;1-methyl-2-prop-1-en-2-ylsulfanylbenzene?
9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile;1-methyl-2-prop-1-en-2-ylsulfanylbenzene has a molecular weight of 712.88 g/mol, XLogP of 13.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile;1-methyl-2-prop-1-en-2-ylsulfanylbenzene is sourced from PubChem (CID 145179110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).