9-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylcarbazol-2-amine

C51H39N5 — CID 152968565

IUPAC9-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylcarbazol-2-amine
SMILESC1=CCC(C2=CCC(n3c4ccccc4c4ccc(N(c5ccccc5)c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc43)C=C2)C=C1
InChIInChI=1S/C51H39N5/c1-5-15-36(16-6-1)37-25-29-43(30-26-37)56-47-24-14-13-23-45(47)46-34-33-44(35-48(46)56)55(41-21-11-4-12-22-41)42-31-27-40(28-32-42)51-53-49(38-17-7-2-8-18-38)52-50(54-51)39-19-9-3-10-20-39/h1-15,17-29,31-36,43H,16,30H2
InChIKeyURZXCAPMTDHFHV-UHFFFAOYSA-N
MW721.91 g/mol
LogP13.01
Rot. Bonds8

About 9-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylcarbazol-2-amine

9-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylcarbazol-2-amine (PubChem CID 152968565) has the molecular formula C51H39N5 and a molecular weight of 721.91 g/mol. Its IUPAC name is 9-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylcarbazol-2-amine.

Molecular Properties

Compound Name9-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylcarbazol-2-amine
PubChem CID152968565
Molecular FormulaC51H39N5
Molecular Weight721.91 g/mol
Exact Mass721.32
IUPAC Name9-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylcarbazol-2-amine
SMILESC1=CCC(C2=CCC(n3c4ccccc4c4ccc(N(c5ccccc5)c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc43)C=C2)C=C1
InChIInChI=1S/C51H39N5/c1-5-15-36(16-6-1)37-25-29-43(30-26-37)56-47-24-14-13-23-45(47)46-34-33-44(35-48(46)56)55(41-21-11-4-12-22-41)42-31-27-40(28-32-42)51-53-49(38-17-7-2-8-18-38)52-50(54-51)39-19-9-3-10-20-39/h1-15,17-29,31-36,43H,16,30H2
InChIKeyURZXCAPMTDHFHV-UHFFFAOYSA-N
XLogP13.01
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.91
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylcarbazol-2-amine with MolForge

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Related Compounds

N-[9-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)carbazol-2-yl]-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]-3'-amine
CID 145313933
9-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 134416567
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-4-yl)-N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167194945
5-[4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-[2-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 175629003
N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline
CID 144687013
9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole
CID 129111739
9-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]cyclohexa-2,4-dien-1-yl]carbazole
CID 143099598
4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118296562
12-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-2-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 156557968
3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 123883456
N-(4-carbazol-9-ylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-yl-10-phenylanthracen-2-yl)phenyl]-4-phenylaniline
CID 88572392
3-cyclohexa-2,4-dien-1-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]aniline
CID 166659713

Frequently Asked Questions

What is the IUPAC name of 9-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylcarbazol-2-amine?
The IUPAC name of 9-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylcarbazol-2-amine (CID 152968565) is 9-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylcarbazol-2-amine.
What is the SMILES notation for 9-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylcarbazol-2-amine?
The canonical SMILES for 9-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylcarbazol-2-amine is C1=CCC(C2=CCC(n3c4ccccc4c4ccc(N(c5ccccc5)c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc43)C=C2)C=C1.
What is the InChIKey of 9-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylcarbazol-2-amine?
The InChIKey is URZXCAPMTDHFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39N5/c1-5-15-36(16-6-1)37-25-29-43(30-26-37)56-47-24-14-13-23-45(47)46-34-33-44(35-48(46)56)55(41-21-11-4-12-22-41)42-31-27-40(28-32-42)51-53-49(38-17-7-2-8-18-38)52-50(54-51)39-19-9-3-10-20-39/h1-15,17-29,31-36,43H,16,30H2.
What are the key properties of 9-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylcarbazol-2-amine?
9-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylcarbazol-2-amine has a molecular weight of 721.91 g/mol, XLogP of 13.01, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylcarbazol-2-amine is sourced from PubChem (CID 152968565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).