9-dibenzofuran-2-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile

C40H23N5O — CID 118152672

IUPAC9-dibenzofuran-2-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1n2-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C40H23N5O/c41-24-25-15-18-34-31(21-25)32-22-28(40-43-38(26-9-3-1-4-10-26)42-39(44-40)27-11-5-2-6-12-27)16-19-35(32)45(34)29-17-20-37-33(23-29)30-13-7-8-14-36(30)46-37/h1-23H
InChIKeyKGGUAVHQHRBYRQ-UHFFFAOYSA-N
MW589.66 g/mol
LogP9.74
Rot. Bonds4

About 9-dibenzofuran-2-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile

9-dibenzofuran-2-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile (PubChem CID 118152672) has the molecular formula C40H23N5O and a molecular weight of 589.66 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-dibenzofuran-2-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile
PubChem CID118152672
Molecular FormulaC40H23N5O
Molecular Weight589.66 g/mol
Exact Mass589.19
IUPAC Name9-dibenzofuran-2-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1n2-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C40H23N5O/c41-24-25-15-18-34-31(21-25)32-22-28(40-43-38(26-9-3-1-4-10-26)42-39(44-40)27-11-5-2-6-12-27)16-19-35(32)45(34)29-17-20-37-33(23-29)30-13-7-8-14-36(30)46-37/h1-23H
InChIKeyKGGUAVHQHRBYRQ-UHFFFAOYSA-N
XLogP9.74
TPSA80.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.66
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole-3-carbonitrile
CID 118152961
5-[8-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]dibenzofuran-2-yl]benzene-1,3-dicarbonitrile
CID 122575941
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 90211475
6-(1,2-benzoxazol-5-yl)-9-dibenzofuran-2-ylcarbazole-3-carbonitrile
CID 134343725
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole-3-carbonitrile
CID 118152758
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755
9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139303898
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118149414
8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile
CID 135136147
7-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 126580289
9-(8-phenyldibenzofuran-2-yl)-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080657

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile?
The IUPAC name of 9-dibenzofuran-2-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile (CID 118152672) is 9-dibenzofuran-2-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile.
What is the SMILES notation for 9-dibenzofuran-2-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile?
The canonical SMILES for 9-dibenzofuran-2-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1n2-c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 9-dibenzofuran-2-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile?
The InChIKey is KGGUAVHQHRBYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N5O/c41-24-25-15-18-34-31(21-25)32-22-28(40-43-38(26-9-3-1-4-10-26)42-39(44-40)27-11-5-2-6-12-27)16-19-35(32)45(34)29-17-20-37-33(23-29)30-13-7-8-14-36(30)46-37/h1-23H.
What are the key properties of 9-dibenzofuran-2-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile?
9-dibenzofuran-2-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile has a molecular weight of 589.66 g/mol, XLogP of 9.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-2-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile is sourced from PubChem (CID 118152672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).