3-carbazol-9-yl-5-(8-phenyldibenzofuran-4-yl)benzonitrile

C37H22N2O — CID 126761717

IUPAC3-carbazol-9-yl-5-(8-phenyldibenzofuran-4-yl)benzonitrile
SMILESN#Cc1cc(-c2cccc3c2oc2ccc(-c4ccccc4)cc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C37H22N2O/c38-23-24-19-27(21-28(20-24)39-34-15-6-4-11-30(34)31-12-5-7-16-35(31)39)29-13-8-14-32-33-22-26(25-9-2-1-3-10-25)17-18-36(33)40-37(29)32/h1-22H
InChIKeyXFVFLNGGEFRSHL-UHFFFAOYSA-N
MW510.60 g/mol
LogP9.89
Rot. Bonds3

About 3-carbazol-9-yl-5-(8-phenyldibenzofuran-4-yl)benzonitrile

3-carbazol-9-yl-5-(8-phenyldibenzofuran-4-yl)benzonitrile (PubChem CID 126761717) has the molecular formula C37H22N2O and a molecular weight of 510.60 g/mol. Its IUPAC name is 3-carbazol-9-yl-5-(8-phenyldibenzofuran-4-yl)benzonitrile.

Molecular Properties

Compound Name3-carbazol-9-yl-5-(8-phenyldibenzofuran-4-yl)benzonitrile
PubChem CID126761717
Molecular FormulaC37H22N2O
Molecular Weight510.60 g/mol
Exact Mass510.17
IUPAC Name3-carbazol-9-yl-5-(8-phenyldibenzofuran-4-yl)benzonitrile
SMILESN#Cc1cc(-c2cccc3c2oc2ccc(-c4ccccc4)cc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C37H22N2O/c38-23-24-19-27(21-28(20-24)39-34-15-6-4-11-30(34)31-12-5-7-16-35(31)39)29-13-8-14-32-33-22-26(25-9-2-1-3-10-25)17-18-36(33)40-37(29)32/h1-22H
InChIKeyXFVFLNGGEFRSHL-UHFFFAOYSA-N
XLogP9.89
TPSA41.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-[8-[3-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole
CID 118438864
3-[2-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)phenyl]benzonitrile
CID 126610434
3-[3-[4-(7-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzonitrile
CID 129087220
9-phenyl-3-[3-(6-phenyldibenzofuran-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492344
4-(3-carbazol-9-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804273
3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile
CID 122575991
3-dibenzofuran-4-yl-5-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]benzonitrile
CID 90393086
3-dibenzofuran-4-yl-5-[3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 90393083
3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(4-phenylcarbazol-9-yl)benzonitrile
CID 129291106
3-phenyl-9-[5-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]-3-pyridinyl]carbazole
CID 118438892
3-carbazol-9-yl-5-(8-phenyldibenzothiophen-4-yl)benzonitrile
CID 126761716
3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile
CID 129290927

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-5-(8-phenyldibenzofuran-4-yl)benzonitrile?
The IUPAC name of 3-carbazol-9-yl-5-(8-phenyldibenzofuran-4-yl)benzonitrile (CID 126761717) is 3-carbazol-9-yl-5-(8-phenyldibenzofuran-4-yl)benzonitrile.
What is the SMILES notation for 3-carbazol-9-yl-5-(8-phenyldibenzofuran-4-yl)benzonitrile?
The canonical SMILES for 3-carbazol-9-yl-5-(8-phenyldibenzofuran-4-yl)benzonitrile is N#Cc1cc(-c2cccc3c2oc2ccc(-c4ccccc4)cc23)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-carbazol-9-yl-5-(8-phenyldibenzofuran-4-yl)benzonitrile?
The InChIKey is XFVFLNGGEFRSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N2O/c38-23-24-19-27(21-28(20-24)39-34-15-6-4-11-30(34)31-12-5-7-16-35(31)39)29-13-8-14-32-33-22-26(25-9-2-1-3-10-25)17-18-36(33)40-37(29)32/h1-22H.
What are the key properties of 3-carbazol-9-yl-5-(8-phenyldibenzofuran-4-yl)benzonitrile?
3-carbazol-9-yl-5-(8-phenyldibenzofuran-4-yl)benzonitrile has a molecular weight of 510.60 g/mol, XLogP of 9.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-5-(8-phenyldibenzofuran-4-yl)benzonitrile is sourced from PubChem (CID 126761717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).