2-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorobenzonitrile

C43H28FN5 — CID 139549800

IUPAC2-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorobenzonitrile
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(C#N)c(-n5c6ccccc6c6ccccc65)cc4F)n3)c21
InChIInChI=1S/C43H28FN5/c1-43(2)34-20-9-6-15-28(34)31-18-12-19-32(39(31)43)41-46-40(26-13-4-3-5-14-26)47-42(48-41)33-23-27(25-45)38(24-35(33)44)49-36-21-10-7-16-29(36)30-17-8-11-22-37(30)49/h3-24H,1-2H3
InChIKeyNYFPACNZYYUCHH-UHFFFAOYSA-N
MW633.73 g/mol
LogP10.29
Rot. Bonds4

About 2-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorobenzonitrile

2-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorobenzonitrile (PubChem CID 139549800) has the molecular formula C43H28FN5 and a molecular weight of 633.73 g/mol. Its IUPAC name is 2-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorobenzonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorobenzonitrile
PubChem CID139549800
Molecular FormulaC43H28FN5
Molecular Weight633.73 g/mol
Exact Mass633.23
IUPAC Name2-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorobenzonitrile
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(C#N)c(-n5c6ccccc6c6ccccc65)cc4F)n3)c21
InChIInChI=1S/C43H28FN5/c1-43(2)34-20-9-6-15-28(34)31-18-12-19-32(39(31)43)41-46-40(26-13-4-3-5-14-26)47-42(48-41)33-23-27(25-45)38(24-35(33)44)49-36-21-10-7-16-29(36)30-17-8-11-22-37(30)49/h3-24H,1-2H3
InChIKeyNYFPACNZYYUCHH-UHFFFAOYSA-N
XLogP10.29
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.73
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-[4-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 153028901
2-carbazol-9-yl-5-[2,5-dicyano-4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzene-1,4-dicarbonitrile
CID 129290887
2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-6-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 169059992
3-[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139495884
4-[4-[4-(2-cyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
CID 170664779
2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 153432313
3-[4-[5-(2-cyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
CID 174169518
2-carbazol-9-yl-5-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)benzene-1,4-dicarbonitrile
CID 121328841
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146535436
9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 171724613
2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134321066
5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 155636706

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorobenzonitrile?
The IUPAC name of 2-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorobenzonitrile (CID 139549800) is 2-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorobenzonitrile.
What is the SMILES notation for 2-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorobenzonitrile?
The canonical SMILES for 2-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorobenzonitrile is CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(C#N)c(-n5c6ccccc6c6ccccc65)cc4F)n3)c21.
What is the InChIKey of 2-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorobenzonitrile?
The InChIKey is NYFPACNZYYUCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28FN5/c1-43(2)34-20-9-6-15-28(34)31-18-12-19-32(39(31)43)41-46-40(26-13-4-3-5-14-26)47-42(48-41)33-23-27(25-45)38(24-35(33)44)49-36-21-10-7-16-29(36)30-17-8-11-22-37(30)49/h3-24H,1-2H3.
What are the key properties of 2-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorobenzonitrile?
2-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorobenzonitrile has a molecular weight of 633.73 g/mol, XLogP of 10.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorobenzonitrile is sourced from PubChem (CID 139549800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).