4-[3-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]pyridine-2,5-dicarbonitrile

C25H18N4 — CID 146538513

IUPAC4-[3-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]pyridine-2,5-dicarbonitrile
SMILESN#Cc1cc(-c2cccc(N3C4=C(CCC=C4)C4C=CC=CC43)c2)c(C#N)cn1
InChIInChI=1S/C25H18N4/c26-14-18-16-28-19(15-27)13-23(18)17-6-5-7-20(12-17)29-24-10-3-1-8-21(24)22-9-2-4-11-25(22)29/h1,3-8,10-13,16,21,24H,2,9H2
InChIKeyYAMWNIJOAXTUMU-UHFFFAOYSA-N
MW374.45 g/mol
LogP5.03
Rot. Bonds2

About 4-[3-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]pyridine-2,5-dicarbonitrile

4-[3-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]pyridine-2,5-dicarbonitrile (PubChem CID 146538513) has the molecular formula C25H18N4 and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-[3-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]pyridine-2,5-dicarbonitrile.

Molecular Properties

Compound Name4-[3-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]pyridine-2,5-dicarbonitrile
PubChem CID146538513
Molecular FormulaC25H18N4
Molecular Weight374.45 g/mol
Exact Mass374.15
IUPAC Name4-[3-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]pyridine-2,5-dicarbonitrile
SMILESN#Cc1cc(-c2cccc(N3C4=C(CCC=C4)C4C=CC=CC43)c2)c(C#N)cn1
InChIInChI=1S/C25H18N4/c26-14-18-16-28-19(15-27)13-23(18)17-6-5-7-20(12-17)29-24-10-3-1-8-21(24)22-9-2-4-11-25(22)29/h1,3-8,10-13,16,21,24H,2,9H2
InChIKeyYAMWNIJOAXTUMU-UHFFFAOYSA-N
XLogP5.03
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.45
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2(7),3,9,11,15,17,19,21-octaene
CID 142397095
2-[(4bS)-9-[4-[4-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-3,4,4b,8a-tetrahydrocarbazol-4-yl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 131982515
1-(3,4,4b,8a-tetrahydrocarbazol-9-yl)-9-[9-(2,6-diphenylphenyl)carbazol-1-yl]carbazole
CID 170375431
3-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-[3-(3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 167280225
9-[4-[4-(1,2,4b,8a-tetrahydrocarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]-2-ethyl-3,4,4b,8a-tetrahydrocarbazole
CID 126604407
2-[3-(4b,8a-dihydrotriphenylen-2-yl)phenyl]triphenylene;9-[4-[4-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-3,4,4b,8a-tetrahydrocarbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;methane;46,48,51,54-tetraphenyl-46,48,51,54-tetrazatridecacyclo[39.3.1.12,6.13,44.17,11.110,13.112,16.117,21.120,23.124,28.129,33.134,37.136,40]hexapentaconta-1(44),2,4,6(56),7(55),8,10,12,14,16(53),17(52),18,20,24,26,28(50),29(49),30,32,36,38,40(47),41(45),42-tetracosaene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene
CID 162201594
5-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-(3-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 167280974
4-[1-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazol-9-yl]cyclohexene-1-carbonitrile
CID 146519250
N-[4-[4-(1,2,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylaniline
CID 167211102
9-[2-[3-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile
CID 167281071
9-phenyl-3-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole-1-carbonitrile
CID 163835714
5-[4-[2-(1,2,4a,4b,8a,9a-hexahydrocarbazol-9-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146538602

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]pyridine-2,5-dicarbonitrile?
The IUPAC name of 4-[3-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]pyridine-2,5-dicarbonitrile (CID 146538513) is 4-[3-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]pyridine-2,5-dicarbonitrile.
What is the SMILES notation for 4-[3-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]pyridine-2,5-dicarbonitrile?
The canonical SMILES for 4-[3-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]pyridine-2,5-dicarbonitrile is N#Cc1cc(-c2cccc(N3C4=C(CCC=C4)C4C=CC=CC43)c2)c(C#N)cn1.
What is the InChIKey of 4-[3-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]pyridine-2,5-dicarbonitrile?
The InChIKey is YAMWNIJOAXTUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4/c26-14-18-16-28-19(15-27)13-23(18)17-6-5-7-20(12-17)29-24-10-3-1-8-21(24)22-9-2-4-11-25(22)29/h1,3-8,10-13,16,21,24H,2,9H2.
What are the key properties of 4-[3-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]pyridine-2,5-dicarbonitrile?
4-[3-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]pyridine-2,5-dicarbonitrile has a molecular weight of 374.45 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]pyridine-2,5-dicarbonitrile is sourced from PubChem (CID 146538513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).