3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole

C43H31N7 — CID 118448619

IUPAC3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole
SMILESCC1C=C(c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc4c3[nH]c3ccccc34)n2)C=CC1
InChIInChI=1S/C43H31N7/c1-27-14-13-21-31(24-27)41-46-40(30-19-9-4-10-20-30)49-43(50-41)35-26-32(25-34-33-22-11-12-23-36(33)44-37(34)35)42-47-38(28-15-5-2-6-16-28)45-39(48-42)29-17-7-3-8-18-29/h2-13,15-27,44H,14H2,1H3
InChIKeyICYVRKKLULGDKU-UHFFFAOYSA-N
MW645.77 g/mol
LogP10.01
Rot. Bonds6

About 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole (PubChem CID 118448619) has the molecular formula C43H31N7 and a molecular weight of 645.77 g/mol. Its IUPAC name is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole.

Molecular Properties

Compound Name3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole
PubChem CID118448619
Molecular FormulaC43H31N7
Molecular Weight645.77 g/mol
Exact Mass645.26
IUPAC Name3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole
SMILESCC1C=C(c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc4c3[nH]c3ccccc34)n2)C=CC1
InChIInChI=1S/C43H31N7/c1-27-14-13-21-31(24-27)41-46-40(30-19-9-4-10-20-30)49-43(50-41)35-26-32(25-34-33-22-11-12-23-36(33)44-37(34)35)42-47-38(28-15-5-2-6-16-28)45-39(48-42)29-17-7-3-8-18-29/h2-13,15-27,44H,14H2,1H3
InChIKeyICYVRKKLULGDKU-UHFFFAOYSA-N
XLogP10.01
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.77
LogP ≤ 510.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole with MolForge

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Related Compounds

2-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 163629155
2-methyl-4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine
CID 131966633
1,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazole
CID 118448496
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 166695966
1-phenyl-3-(1-phenyl-9H-carbazol-3-yl)-9H-carbazole
CID 175910913
2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
CID 146183045
9-[7-[4-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole
CID 146395981
2,9-dimethyl-4-(3-methylcyclohexa-1,5-dien-1-yl)-7-phenyl-1,10-phenanthroline
CID 146321201
1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
CID 155673306
1-[4-[3-[[2-(2-methylphenyl)phenyl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole
CID 163586417
1-[4-phenyl-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]-9H-carbazole
CID 167363642
3,6-ditert-butyl-9-[2-[4-[2-(3,6-ditert-butyl-1,2-dihydrocarbazol-9-yl)-3-phenylphenyl]-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole
CID 166751453

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole?
The IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole (CID 118448619) is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole.
What is the SMILES notation for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole?
The canonical SMILES for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole is CC1C=C(c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc4c3[nH]c3ccccc34)n2)C=CC1.
What is the InChIKey of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole?
The InChIKey is ICYVRKKLULGDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N7/c1-27-14-13-21-31(24-27)41-46-40(30-19-9-4-10-20-30)49-43(50-41)35-26-32(25-34-33-22-11-12-23-36(33)44-37(34)35)42-47-38(28-15-5-2-6-16-28)45-39(48-42)29-17-7-3-8-18-29/h2-13,15-27,44H,14H2,1H3.
What are the key properties of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole?
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole has a molecular weight of 645.77 g/mol, XLogP of 10.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole is sourced from PubChem (CID 118448619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).