3-carbazol-9-yl-5-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]benzonitrile

C46H31N3 — CID 129290965

IUPAC3-carbazol-9-yl-5-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]benzonitrile
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3cccc(-c4cc(C#N)cc(-n5c6ccccc6c6ccccc65)c4)c3)c21
InChIInChI=1S/C46H31N3/c1-46(2)39-18-7-3-17-38(39)44-40(46)23-22-37-36-16-6-10-21-43(36)49(45(37)44)32-13-11-12-30(26-32)31-24-29(28-47)25-33(27-31)48-41-19-8-4-14-34(41)35-15-5-9-20-42(35)48/h3-27H,1-2H3
InChIKeyDTXDLBWWDVOMQY-UHFFFAOYSA-N
MW625.78 g/mol
LogP11.73
Rot. Bonds3

About 3-carbazol-9-yl-5-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]benzonitrile

3-carbazol-9-yl-5-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]benzonitrile (PubChem CID 129290965) has the molecular formula C46H31N3 and a molecular weight of 625.78 g/mol. Its IUPAC name is 3-carbazol-9-yl-5-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-carbazol-9-yl-5-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]benzonitrile
PubChem CID129290965
Molecular FormulaC46H31N3
Molecular Weight625.78 g/mol
Exact Mass625.25
IUPAC Name3-carbazol-9-yl-5-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]benzonitrile
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3cccc(-c4cc(C#N)cc(-n5c6ccccc6c6ccccc65)c4)c3)c21
InChIInChI=1S/C46H31N3/c1-46(2)39-18-7-3-17-38(39)44-40(46)23-22-37-36-16-6-10-21-43(36)49(45(37)44)32-13-11-12-30(26-32)31-24-29(28-47)25-33(27-31)48-41-19-8-4-14-34(41)35-15-5-9-20-42(35)48/h3-27H,1-2H3
InChIKeyDTXDLBWWDVOMQY-UHFFFAOYSA-N
XLogP11.73
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.78
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-carbazol-9-yl-5-cyanophenyl)-4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzonitrile
CID 129299851
3-[4-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;[3-[4-[3-(7,7-dimethyl-3-phenylindeno[1,2-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-3-phenylindeno[1,2-a]carbazole
CID 158838124
3-carbazol-9-yl-5-[3-cyano-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile
CID 168783318
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 162362960
12-[4-[2,6-bis[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 126630670
7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole
CID 90441170
3-[4-[3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;[3-[4-[3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 165033741
8-carbazol-9-yl-9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958991
12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 118502376
3-(3-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
CID 129290978
2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 166572299
7,7-diphenyl-12-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-a]carbazole
CID 121343577

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-5-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]benzonitrile?
The IUPAC name of 3-carbazol-9-yl-5-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]benzonitrile (CID 129290965) is 3-carbazol-9-yl-5-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]benzonitrile.
What is the SMILES notation for 3-carbazol-9-yl-5-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]benzonitrile?
The canonical SMILES for 3-carbazol-9-yl-5-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]benzonitrile is CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3cccc(-c4cc(C#N)cc(-n5c6ccccc6c6ccccc65)c4)c3)c21.
What is the InChIKey of 3-carbazol-9-yl-5-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]benzonitrile?
The InChIKey is DTXDLBWWDVOMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3/c1-46(2)39-18-7-3-17-38(39)44-40(46)23-22-37-36-16-6-10-21-43(36)49(45(37)44)32-13-11-12-30(26-32)31-24-29(28-47)25-33(27-31)48-41-19-8-4-14-34(41)35-15-5-9-20-42(35)48/h3-27H,1-2H3.
What are the key properties of 3-carbazol-9-yl-5-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]benzonitrile?
3-carbazol-9-yl-5-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]benzonitrile has a molecular weight of 625.78 g/mol, XLogP of 11.73, 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-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]benzonitrile is sourced from PubChem (CID 129290965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).