9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole

C45H32N4 — CID 174355929

IUPAC9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole
SMILESC1=CC(c2ccc3c4ccccc4n(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3c2)=CCC1
InChIInChI=1S/C45H32N4/c1-4-12-31(13-5-1)34-20-24-36(25-21-34)43-46-44(37-26-22-35(23-27-37)32-14-6-2-7-15-32)48-45(47-43)49-41-19-11-10-18-39(41)40-29-28-38(30-42(40)49)33-16-8-3-9-17-33/h1-2,4-8,10-30H,3,9H2
InChIKeySNYWKUCHJMAHRB-UHFFFAOYSA-N
MW628.78 g/mol
LogP11.37
Rot. Bonds6

About 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole

9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole (PubChem CID 174355929) has the molecular formula C45H32N4 and a molecular weight of 628.78 g/mol. Its IUPAC name is 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole.

Molecular Properties

Compound Name9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole
PubChem CID174355929
Molecular FormulaC45H32N4
Molecular Weight628.78 g/mol
Exact Mass628.26
IUPAC Name9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole
SMILESC1=CC(c2ccc3c4ccccc4n(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3c2)=CCC1
InChIInChI=1S/C45H32N4/c1-4-12-31(13-5-1)34-20-24-36(25-21-34)43-46-44(37-26-22-35(23-27-37)32-14-6-2-7-15-32)48-45(47-43)49-41-19-11-10-18-39(41)40-29-28-38(30-42(40)49)33-16-8-3-9-17-33/h1-2,4-8,10-30H,3,9H2
InChIKeySNYWKUCHJMAHRB-UHFFFAOYSA-N
XLogP11.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.78
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 130183985
3-[9-[2-carbazol-9-yl-5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 166701858
9-[4-[6-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 145283567
9-[4-carbazol-9-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742506
9-cyclohexa-1,5-dien-1-yl-2-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 170078785
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896
2-(4-bromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 163781503
9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(3-triphenylen-2-ylphenyl)carbazole
CID 129197250
9-[3-[5-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 137381314
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-phenylphenyl)carbazole
CID 142377778
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylcarbazole
CID 126580254
9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413

Frequently Asked Questions

What is the IUPAC name of 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole?
The IUPAC name of 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole (CID 174355929) is 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole.
What is the SMILES notation for 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole?
The canonical SMILES for 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole is C1=CC(c2ccc3c4ccccc4n(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3c2)=CCC1.
What is the InChIKey of 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole?
The InChIKey is SNYWKUCHJMAHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N4/c1-4-12-31(13-5-1)34-20-24-36(25-21-34)43-46-44(37-26-22-35(23-27-37)32-14-6-2-7-15-32)48-45(47-43)49-41-19-11-10-18-39(41)40-29-28-38(30-42(40)49)33-16-8-3-9-17-33/h1-2,4-8,10-30H,3,9H2.
What are the key properties of 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole?
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole has a molecular weight of 628.78 g/mol, XLogP of 11.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole is sourced from PubChem (CID 174355929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).