5-(9H-acridin-10-yl)-2-[4-(9H-acridin-10-yl)-2-cyanophenyl]benzonitrile

C40H26N4 — CID 130419594

IUPAC5-(9H-acridin-10-yl)-2-[4-(9H-acridin-10-yl)-2-cyanophenyl]benzonitrile
SMILESN#Cc1cc(N2c3ccccc3Cc3ccccc32)ccc1-c1ccc(N2c3ccccc3Cc3ccccc32)cc1C#N
InChIInChI=1S/C40H26N4/c41-25-31-23-33(43-37-13-5-1-9-27(37)21-28-10-2-6-14-38(28)43)17-19-35(31)36-20-18-34(24-32(36)26-42)44-39-15-7-3-11-29(39)22-30-12-4-8-16-40(30)44/h1-20,23-24H,21-22H2
InChIKeyWOIPLZLDUKYWHZ-UHFFFAOYSA-N
MW562.68 g/mol
LogP9.84
Rot. Bonds3

About 5-(9H-acridin-10-yl)-2-[4-(9H-acridin-10-yl)-2-cyanophenyl]benzonitrile

5-(9H-acridin-10-yl)-2-[4-(9H-acridin-10-yl)-2-cyanophenyl]benzonitrile (PubChem CID 130419594) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 5-(9H-acridin-10-yl)-2-[4-(9H-acridin-10-yl)-2-cyanophenyl]benzonitrile.

Molecular Properties

Compound Name5-(9H-acridin-10-yl)-2-[4-(9H-acridin-10-yl)-2-cyanophenyl]benzonitrile
PubChem CID130419594
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name5-(9H-acridin-10-yl)-2-[4-(9H-acridin-10-yl)-2-cyanophenyl]benzonitrile
SMILESN#Cc1cc(N2c3ccccc3Cc3ccccc32)ccc1-c1ccc(N2c3ccccc3Cc3ccccc32)cc1C#N
InChIInChI=1S/C40H26N4/c41-25-31-23-33(43-37-13-5-1-9-27(37)21-28-10-2-6-14-38(28)43)17-19-35(31)36-20-18-34(24-32(36)26-42)44-39-15-7-3-11-29(39)22-30-12-4-8-16-40(30)44/h1-20,23-24H,21-22H2
InChIKeyWOIPLZLDUKYWHZ-UHFFFAOYSA-N
XLogP9.84
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-2-[4-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-2-isocyanophenyl]benzonitrile
CID 160565485
2-phenyl-2-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 122432558
10-(4-nitrophenyl)-9H-acridine
CID 12969132
10-[4-[4-(9H-acridin-10-yl)-2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenothiazine
CID 129291751
2-[3-(9H-acridin-10-yl)phenyl]-5-[(2-carbazol-9-yl-4-cyanophenyl)methyl]benzonitrile
CID 167280235
10-[6-(9H-acridin-10-yl)-9,10-di(fluoranthen-3-yl)anthracen-2-yl]-9H-acridine
CID 59220915
2-[4-(9H-acridin-10-yl)-2-isocyanophenyl]-5-phenoxazin-10-ylbenzonitrile;2-(2-amino-4-bromophenyl)-5-bromoaniline;5-bromo-2-(4-bromo-2-isocyanophenyl)aniline;chloro-λ2-stannane;copper(1+);1,4-dibromo-2-nitrobenzene;methane;9H-xanthene;cyanide
CID 158291471
5-(8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-14-yl)-2-phenylbenzonitrile
CID 177263506
10-(4-ethylphenyl)-9H-acridine
CID 131970743
10-[3-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]-9H-acridine-2-carbonitrile
CID 167280260
2-[4-(2,3-dihydroindol-1-yl)phenyl]-5-methylbenzonitrile
CID 122435818
5-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]benzonitrile
CID 138735931

Frequently Asked Questions

What is the IUPAC name of 5-(9H-acridin-10-yl)-2-[4-(9H-acridin-10-yl)-2-cyanophenyl]benzonitrile?
The IUPAC name of 5-(9H-acridin-10-yl)-2-[4-(9H-acridin-10-yl)-2-cyanophenyl]benzonitrile (CID 130419594) is 5-(9H-acridin-10-yl)-2-[4-(9H-acridin-10-yl)-2-cyanophenyl]benzonitrile.
What is the SMILES notation for 5-(9H-acridin-10-yl)-2-[4-(9H-acridin-10-yl)-2-cyanophenyl]benzonitrile?
The canonical SMILES for 5-(9H-acridin-10-yl)-2-[4-(9H-acridin-10-yl)-2-cyanophenyl]benzonitrile is N#Cc1cc(N2c3ccccc3Cc3ccccc32)ccc1-c1ccc(N2c3ccccc3Cc3ccccc32)cc1C#N.
What is the InChIKey of 5-(9H-acridin-10-yl)-2-[4-(9H-acridin-10-yl)-2-cyanophenyl]benzonitrile?
The InChIKey is WOIPLZLDUKYWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c41-25-31-23-33(43-37-13-5-1-9-27(37)21-28-10-2-6-14-38(28)43)17-19-35(31)36-20-18-34(24-32(36)26-42)44-39-15-7-3-11-29(39)22-30-12-4-8-16-40(30)44/h1-20,23-24H,21-22H2.
What are the key properties of 5-(9H-acridin-10-yl)-2-[4-(9H-acridin-10-yl)-2-cyanophenyl]benzonitrile?
5-(9H-acridin-10-yl)-2-[4-(9H-acridin-10-yl)-2-cyanophenyl]benzonitrile has a molecular weight of 562.68 g/mol, XLogP of 9.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9H-acridin-10-yl)-2-[4-(9H-acridin-10-yl)-2-cyanophenyl]benzonitrile is sourced from PubChem (CID 130419594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).