9-[3-[4-(4-tert-butylcyclohexa-2,4-dien-1-yl)-6-(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole

C41H40N4 — CID 129018600

IUPAC9-[3-[4-(4-tert-butylcyclohexa-2,4-dien-1-yl)-6-(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESCC(C)(C)C1=CCC(c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)C=C1
InChIInChI=1S/C41H40N4/c1-40(2,3)30-22-18-27(19-23-30)37-42-38(28-20-24-31(25-21-28)41(4,5)6)44-39(43-37)29-12-11-13-32(26-29)45-35-16-9-7-14-33(35)34-15-8-10-17-36(34)45/h7-20,22-26,28H,21H2,1-6H3
InChIKeyFGTKJTYSOMOWPC-UHFFFAOYSA-N
MW588.80 g/mol
LogP10.62
Rot. Bonds4

About 9-[3-[4-(4-tert-butylcyclohexa-2,4-dien-1-yl)-6-(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole

9-[3-[4-(4-tert-butylcyclohexa-2,4-dien-1-yl)-6-(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 129018600) has the molecular formula C41H40N4 and a molecular weight of 588.80 g/mol. Its IUPAC name is 9-[3-[4-(4-tert-butylcyclohexa-2,4-dien-1-yl)-6-(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[4-(4-tert-butylcyclohexa-2,4-dien-1-yl)-6-(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID129018600
Molecular FormulaC41H40N4
Molecular Weight588.80 g/mol
Exact Mass588.33
IUPAC Name9-[3-[4-(4-tert-butylcyclohexa-2,4-dien-1-yl)-6-(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESCC(C)(C)C1=CCC(c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)C=C1
InChIInChI=1S/C41H40N4/c1-40(2,3)30-22-18-27(19-23-30)37-42-38(28-20-24-31(25-21-28)41(4,5)6)44-39(43-37)29-12-11-13-32(26-29)45-35-16-9-7-14-33(35)34-15-8-10-17-36(34)45/h7-20,22-26,28H,21H2,1-6H3
InChIKeyFGTKJTYSOMOWPC-UHFFFAOYSA-N
XLogP10.62
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.80
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-[3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 165155084
9-[4-(4-tert-butylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylcarbazole
CID 118053607
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
9-[3-(4-cyclohex-2-en-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 163535760
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 58511626
5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 118504560
3-[3-[4,6-bis(4-tert-butylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209017
3-(9-tert-butylcarbazol-3-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118133161
9-[3-[4-[3-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901387
9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 153208818
2-[3-[4,6-bis(4-tert-butylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209074
3-(3-carbazol-9-ylphenyl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 58943700

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(4-tert-butylcyclohexa-2,4-dien-1-yl)-6-(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 9-[3-[4-(4-tert-butylcyclohexa-2,4-dien-1-yl)-6-(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 129018600) is 9-[3-[4-(4-tert-butylcyclohexa-2,4-dien-1-yl)-6-(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[4-(4-tert-butylcyclohexa-2,4-dien-1-yl)-6-(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-[4-(4-tert-butylcyclohexa-2,4-dien-1-yl)-6-(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is CC(C)(C)C1=CCC(c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)C=C1.
What is the InChIKey of 9-[3-[4-(4-tert-butylcyclohexa-2,4-dien-1-yl)-6-(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is FGTKJTYSOMOWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H40N4/c1-40(2,3)30-22-18-27(19-23-30)37-42-38(28-20-24-31(25-21-28)41(4,5)6)44-39(43-37)29-12-11-13-32(26-29)45-35-16-9-7-14-33(35)34-15-8-10-17-36(34)45/h7-20,22-26,28H,21H2,1-6H3.
What are the key properties of 9-[3-[4-(4-tert-butylcyclohexa-2,4-dien-1-yl)-6-(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
9-[3-[4-(4-tert-butylcyclohexa-2,4-dien-1-yl)-6-(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 588.80 g/mol, XLogP of 10.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-(4-tert-butylcyclohexa-2,4-dien-1-yl)-6-(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 129018600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).