2-[9-(9,9-dimethylfluoren-3-yl)carbazol-4-yl]benzene-1,3-dicarbonitrile

C35H23N3 — CID 155357389

IUPAC2-[9-(9,9-dimethylfluoren-3-yl)carbazol-4-yl]benzene-1,3-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4c(-c5c(C#N)cccc5C#N)cccc43)ccc21
InChIInChI=1S/C35H23N3/c1-35(2)29-14-5-3-11-25(29)28-19-24(17-18-30(28)35)38-31-15-6-4-12-26(31)34-27(13-8-16-32(34)38)33-22(20-36)9-7-10-23(33)21-37/h3-19H,1-2H3
InChIKeyBTVBIHWWFBQLTL-UHFFFAOYSA-N
MW485.59 g/mol
LogP8.50
Rot. Bonds2

About 2-[9-(9,9-dimethylfluoren-3-yl)carbazol-4-yl]benzene-1,3-dicarbonitrile

2-[9-(9,9-dimethylfluoren-3-yl)carbazol-4-yl]benzene-1,3-dicarbonitrile (PubChem CID 155357389) has the molecular formula C35H23N3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 2-[9-(9,9-dimethylfluoren-3-yl)carbazol-4-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[9-(9,9-dimethylfluoren-3-yl)carbazol-4-yl]benzene-1,3-dicarbonitrile
PubChem CID155357389
Molecular FormulaC35H23N3
Molecular Weight485.59 g/mol
Exact Mass485.19
IUPAC Name2-[9-(9,9-dimethylfluoren-3-yl)carbazol-4-yl]benzene-1,3-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4c(-c5c(C#N)cccc5C#N)cccc43)ccc21
InChIInChI=1S/C35H23N3/c1-35(2)29-14-5-3-11-25(29)28-19-24(17-18-30(28)35)38-31-15-6-4-12-26(31)34-27(13-8-16-32(34)38)33-22(20-36)9-7-10-23(33)21-37/h3-19H,1-2H3
InChIKeyBTVBIHWWFBQLTL-UHFFFAOYSA-N
XLogP8.50
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-carbazol-9-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158410726
2-[9-(9,9-dimethylfluoren-2-yl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155357432
9-(9,9-dimethylfluoren-2-yl)-14-(9,9-dimethylfluoren-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122595589
2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 121328849
5-(9,9-dimethylfluoren-3-yl)-6-phenylindolo[2,3-b]indole
CID 121289685
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 118449201
3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3-carbazol-9-ylphenyl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-yl-9,9-dimethylfluoren-3-yl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-ylphenanthren-3-yl)carbazole
CID 158770389
4-(8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaen-16-yl)benzonitrile
CID 134509960
12-dibenzoselenophen-2-yl-5-(9,9-dimethylfluoren-3-yl)indolo[3,2-c]carbazole
CID 140744289
2-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2-phenylphenyl]benzene-1,3-dicarbonitrile
CID 147481564
5,18-di(carbazol-9-yl)-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 59147207

Frequently Asked Questions

What is the IUPAC name of 2-[9-(9,9-dimethylfluoren-3-yl)carbazol-4-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[9-(9,9-dimethylfluoren-3-yl)carbazol-4-yl]benzene-1,3-dicarbonitrile (CID 155357389) is 2-[9-(9,9-dimethylfluoren-3-yl)carbazol-4-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[9-(9,9-dimethylfluoren-3-yl)carbazol-4-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[9-(9,9-dimethylfluoren-3-yl)carbazol-4-yl]benzene-1,3-dicarbonitrile is CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4c(-c5c(C#N)cccc5C#N)cccc43)ccc21.
What is the InChIKey of 2-[9-(9,9-dimethylfluoren-3-yl)carbazol-4-yl]benzene-1,3-dicarbonitrile?
The InChIKey is BTVBIHWWFBQLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3/c1-35(2)29-14-5-3-11-25(29)28-19-24(17-18-30(28)35)38-31-15-6-4-12-26(31)34-27(13-8-16-32(34)38)33-22(20-36)9-7-10-23(33)21-37/h3-19H,1-2H3.
What are the key properties of 2-[9-(9,9-dimethylfluoren-3-yl)carbazol-4-yl]benzene-1,3-dicarbonitrile?
2-[9-(9,9-dimethylfluoren-3-yl)carbazol-4-yl]benzene-1,3-dicarbonitrile has a molecular weight of 485.59 g/mol, XLogP of 8.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(9,9-dimethylfluoren-3-yl)carbazol-4-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 155357389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).