2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile

C33H23N3 — CID 146543164

IUPAC2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cccc(-c2cc(C#N)ccn2)c1
InChIInChI=1S/C33H23N3/c1-33(2)27-12-5-3-10-24(27)25-14-15-30-31(32(25)33)26-11-4-6-13-29(26)36(30)23-9-7-8-22(19-23)28-18-21(20-34)16-17-35-28/h3-19H,1-2H3
InChIKeySRIMCULTZVXOHB-UHFFFAOYSA-N
MW461.57 g/mol
LogP8.02
Rot. Bonds2

About 2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile

2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile (PubChem CID 146543164) has the molecular formula C33H23N3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile
PubChem CID146543164
Molecular FormulaC33H23N3
Molecular Weight461.57 g/mol
Exact Mass461.19
IUPAC Name2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cccc(-c2cc(C#N)ccn2)c1
InChIInChI=1S/C33H23N3/c1-33(2)27-12-5-3-10-24(27)25-14-15-30-31(32(25)33)26-11-4-6-13-29(26)36(30)23-9-7-8-22(19-23)28-18-21(20-34)16-17-35-28/h3-19H,1-2H3
InChIKeySRIMCULTZVXOHB-UHFFFAOYSA-N
XLogP8.02
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile
CID 146543402
3-(3-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
CID 129290978
5-[3-[2,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 126630735
12,12-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indeno[1,2-c]carbazole
CID 169014734
5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 118502372
3-[3-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile;5-[3-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile;5-[3-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 159869508
5-[3-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 158120881
9-[3-(2-isocyano-12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]carbazole-3-carbonitrile
CID 140822973
5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 134237091
5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 158364365
2-[3-(7-phenylbenzo[c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile
CID 118397516
5-[6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)naphthalen-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 122548689

Frequently Asked Questions

What is the IUPAC name of 2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile (CID 146543164) is 2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile is CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cccc(-c2cc(C#N)ccn2)c1.
What is the InChIKey of 2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile?
The InChIKey is SRIMCULTZVXOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3/c1-33(2)27-12-5-3-10-24(27)25-14-15-30-31(32(25)33)26-11-4-6-13-29(26)36(30)23-9-7-8-22(19-23)28-18-21(20-34)16-17-35-28/h3-19H,1-2H3.
What are the key properties of 2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile?
2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile has a molecular weight of 461.57 g/mol, XLogP of 8.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile is sourced from PubChem (CID 146543164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).