2-carbazol-9-yl-3-(N-dibenzofuran-3-yl-4-phenylanilino)benzene-1,4-dicarbonitrile

C44H26N4O — CID 167175654

IUPAC2-carbazol-9-yl-3-(N-dibenzofuran-3-yl-4-phenylanilino)benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(-n2c3ccccc3c3ccccc32)c1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C44H26N4O/c45-27-31-18-19-32(28-46)44(48-39-15-7-4-12-35(39)36-13-5-8-16-40(36)48)43(31)47(33-22-20-30(21-23-33)29-10-2-1-3-11-29)34-24-25-38-37-14-6-9-17-41(37)49-42(38)26-34/h1-26H
InChIKeyGBYALRQOJCOJOB-UHFFFAOYSA-N
MW626.72 g/mol
LogP11.56
Rot. Bonds5

About 2-carbazol-9-yl-3-(N-dibenzofuran-3-yl-4-phenylanilino)benzene-1,4-dicarbonitrile

2-carbazol-9-yl-3-(N-dibenzofuran-3-yl-4-phenylanilino)benzene-1,4-dicarbonitrile (PubChem CID 167175654) has the molecular formula C44H26N4O and a molecular weight of 626.72 g/mol. Its IUPAC name is 2-carbazol-9-yl-3-(N-dibenzofuran-3-yl-4-phenylanilino)benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-3-(N-dibenzofuran-3-yl-4-phenylanilino)benzene-1,4-dicarbonitrile
PubChem CID167175654
Molecular FormulaC44H26N4O
Molecular Weight626.72 g/mol
Exact Mass626.21
IUPAC Name2-carbazol-9-yl-3-(N-dibenzofuran-3-yl-4-phenylanilino)benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(-n2c3ccccc3c3ccccc32)c1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C44H26N4O/c45-27-31-18-19-32(28-46)44(48-39-15-7-4-12-35(39)36-13-5-8-16-40(36)48)43(31)47(33-22-20-30(21-23-33)29-10-2-1-3-11-29)34-24-25-38-37-14-6-9-17-41(37)49-42(38)26-34/h1-26H
InChIKeyGBYALRQOJCOJOB-UHFFFAOYSA-N
XLogP11.56
TPSA68.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.72
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-carbazol-9-yl-3-(N-dibenzofuran-3-yl-4-phenylanilino)-4-isocyanobenzonitrile
CID 166027921
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 131972152
2-carbazol-9-yl-3-[N-naphthalen-2-yl-4-(N-phenylanilino)anilino]benzene-1,4-dicarbonitrile
CID 167175620
2-carbazol-9-yl-3-(dinaphthalen-2-ylamino)benzene-1,4-dicarbonitrile
CID 167175716
4-[4-[N-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)anilino]phenyl]benzonitrile
CID 118314835
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
5-(4-carbazol-9-yl-N-dibenzofuran-3-ylanilino)-3-(3-phenylcarbazol-9-yl)benzene-1,2-dicarbonitrile
CID 166027932
4-[N-dibenzofuran-3-yl-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]anilino]benzonitrile
CID 71126867
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
N-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
N-(4-phenylphenyl)-N-(2,4,6-triphenylphenyl)dibenzofuran-3-amine
CID 121287876
N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808582

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-3-(N-dibenzofuran-3-yl-4-phenylanilino)benzene-1,4-dicarbonitrile?
The IUPAC name of 2-carbazol-9-yl-3-(N-dibenzofuran-3-yl-4-phenylanilino)benzene-1,4-dicarbonitrile (CID 167175654) is 2-carbazol-9-yl-3-(N-dibenzofuran-3-yl-4-phenylanilino)benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-carbazol-9-yl-3-(N-dibenzofuran-3-yl-4-phenylanilino)benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-carbazol-9-yl-3-(N-dibenzofuran-3-yl-4-phenylanilino)benzene-1,4-dicarbonitrile is N#Cc1ccc(C#N)c(-n2c3ccccc3c3ccccc32)c1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 2-carbazol-9-yl-3-(N-dibenzofuran-3-yl-4-phenylanilino)benzene-1,4-dicarbonitrile?
The InChIKey is GBYALRQOJCOJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O/c45-27-31-18-19-32(28-46)44(48-39-15-7-4-12-35(39)36-13-5-8-16-40(36)48)43(31)47(33-22-20-30(21-23-33)29-10-2-1-3-11-29)34-24-25-38-37-14-6-9-17-41(37)49-42(38)26-34/h1-26H.
What are the key properties of 2-carbazol-9-yl-3-(N-dibenzofuran-3-yl-4-phenylanilino)benzene-1,4-dicarbonitrile?
2-carbazol-9-yl-3-(N-dibenzofuran-3-yl-4-phenylanilino)benzene-1,4-dicarbonitrile has a molecular weight of 626.72 g/mol, XLogP of 11.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-3-(N-dibenzofuran-3-yl-4-phenylanilino)benzene-1,4-dicarbonitrile is sourced from PubChem (CID 167175654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).