9-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

C33H24N4 — CID 144955832

IUPAC9-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESC1=CC(n2c3ccccc3c3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc32)=CCC1
InChIInChI=1S/C33H24N4/c1-4-13-23(14-5-1)31-34-32(24-15-6-2-7-16-24)36-33(35-31)27-20-12-22-29-30(27)26-19-10-11-21-28(26)37(29)25-17-8-3-9-18-25/h1-2,4-8,10-22H,3,9H2
InChIKeyZTHKPPIDMCLNMA-UHFFFAOYSA-N
MW476.58 g/mol
LogP8.17
Rot. Bonds4

About 9-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

9-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 144955832) has the molecular formula C33H24N4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 9-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name9-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
PubChem CID144955832
Molecular FormulaC33H24N4
Molecular Weight476.58 g/mol
Exact Mass476.20
IUPAC Name9-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESC1=CC(n2c3ccccc3c3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc32)=CCC1
InChIInChI=1S/C33H24N4/c1-4-13-23(14-5-1)31-34-32(24-15-6-2-7-16-24)36-33(35-31)27-20-12-22-29-30(27)26-19-10-11-21-28(26)37(29)25-17-8-3-9-18-25/h1-2,4-8,10-22H,3,9H2
InChIKeyZTHKPPIDMCLNMA-UHFFFAOYSA-N
XLogP8.17
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[3-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)carbazol-9-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 167232919
9-cyclohexa-1,5-dien-1-yl-5-[9-[2-[4-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-2-phenylcarbazole
CID 174271499
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
9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-[9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-4-yl]carbazole
CID 176871191
9-[4-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 166984413
9-cyclohexa-1,5-dien-1-yl-3-(4-fluoranthen-3-ylquinazolin-2-yl)carbazole
CID 66635726
9-[9-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 166988281
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146491338
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole
CID 155473781
20-cyclohexa-1,5-dien-1-yl-16-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene
CID 145347622
9-[4-(9-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 170106843
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
CID 176837765

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 9-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (CID 144955832) is 9-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 9-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 9-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is C1=CC(n2c3ccccc3c3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc32)=CCC1.
What is the InChIKey of 9-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is ZTHKPPIDMCLNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N4/c1-4-13-23(14-5-1)31-34-32(24-15-6-2-7-16-24)36-33(35-31)27-20-12-22-29-30(27)26-19-10-11-21-28(26)37(29)25-17-8-3-9-18-25/h1-2,4-8,10-22H,3,9H2.
What are the key properties of 9-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
9-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 476.58 g/mol, XLogP of 8.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 144955832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).