5-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzene-1,2,4-tricarbonitrile

C48H31N5 — CID 126496704

IUPAC5-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzene-1,2,4-tricarbonitrile
SMILESCC1(C)c2ccccc2N(c2cc(-c3ccccc3-c3cc(C#N)c(C#N)cc3C#N)cc(-n3c4ccccc4c4ccccc43)c2)c2ccccc21
InChIInChI=1S/C48H31N5/c1-48(2)42-17-7-11-21-46(42)53(47-22-12-8-18-43(47)48)36-25-31(24-35(27-36)52-44-19-9-5-15-39(44)40-16-6-10-20-45(40)52)37-13-3-4-14-38(37)41-26-33(29-50)32(28-49)23-34(41)30-51/h3-27H,1-2H3
InChIKeySYIUIPRSZCXNEA-UHFFFAOYSA-N
MW677.81 g/mol
LogP11.84
Rot. Bonds4

About 5-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzene-1,2,4-tricarbonitrile

5-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzene-1,2,4-tricarbonitrile (PubChem CID 126496704) has the molecular formula C48H31N5 and a molecular weight of 677.81 g/mol. Its IUPAC name is 5-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzene-1,2,4-tricarbonitrile.

Molecular Properties

Compound Name5-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzene-1,2,4-tricarbonitrile
PubChem CID126496704
Molecular FormulaC48H31N5
Molecular Weight677.81 g/mol
Exact Mass677.26
IUPAC Name5-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzene-1,2,4-tricarbonitrile
SMILESCC1(C)c2ccccc2N(c2cc(-c3ccccc3-c3cc(C#N)c(C#N)cc3C#N)cc(-n3c4ccccc4c4ccccc43)c2)c2ccccc21
InChIInChI=1S/C48H31N5/c1-48(2)42-17-7-11-21-46(42)53(47-22-12-8-18-43(47)48)36-25-31(24-35(27-36)52-44-19-9-5-15-39(44)40-16-6-10-20-45(40)52)37-13-3-4-14-38(37)41-26-33(29-50)32(28-49)23-34(41)30-51/h3-27H,1-2H3
InChIKeySYIUIPRSZCXNEA-UHFFFAOYSA-N
XLogP11.84
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile
CID 126496772
2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile
CID 126492630
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
2-(2-carbazol-9-ylphenyl)-4-(9,9-dimethyl-10-phenylacridin-2-yl)benzonitrile
CID 167401892
4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile
CID 126496702
10-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine;9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine;9-[4-(3,5-diphenylphenyl)phenyl]carbazole
CID 160816832
9-[3-carbazol-9-yl-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]carbazole
CID 121287743
10-[3-[2-(3,4-diisocyanophenyl)phenyl]-5-pyrido[4,3-b]indol-5-ylphenyl]-9,9-dimethylacridine;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile;3-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzonitrile
CID 161425675
5-(21,21-dimethyl-14-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,3-dicarbonitrile
CID 147984764
2-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-3-isocyanobenzonitrile
CID 140767611
3-carbazol-9-yl-5-[3-cyano-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile
CID 168783318
10-[9-[3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9,9-dimethylacridine
CID 168836599

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzene-1,2,4-tricarbonitrile?
The IUPAC name of 5-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzene-1,2,4-tricarbonitrile (CID 126496704) is 5-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzene-1,2,4-tricarbonitrile.
What is the SMILES notation for 5-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzene-1,2,4-tricarbonitrile?
The canonical SMILES for 5-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzene-1,2,4-tricarbonitrile is CC1(C)c2ccccc2N(c2cc(-c3ccccc3-c3cc(C#N)c(C#N)cc3C#N)cc(-n3c4ccccc4c4ccccc43)c2)c2ccccc21.
What is the InChIKey of 5-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzene-1,2,4-tricarbonitrile?
The InChIKey is SYIUIPRSZCXNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N5/c1-48(2)42-17-7-11-21-46(42)53(47-22-12-8-18-43(47)48)36-25-31(24-35(27-36)52-44-19-9-5-15-39(44)40-16-6-10-20-45(40)52)37-13-3-4-14-38(37)41-26-33(29-50)32(28-49)23-34(41)30-51/h3-27H,1-2H3.
What are the key properties of 5-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzene-1,2,4-tricarbonitrile?
5-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzene-1,2,4-tricarbonitrile has a molecular weight of 677.81 g/mol, XLogP of 11.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzene-1,2,4-tricarbonitrile is sourced from PubChem (CID 126496704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).