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

C57H40N4 — CID 135143843

IUPAC2-(3,5-diphenylcyclohexa-2,4-dien-1-yl)-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
SMILESC1=C(c2ccccc2)C=C(c2ccccc2)CC1c1ccc2c3ccccc3n(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)c2c1
InChIInChI=1S/C57H40N4/c1-5-16-39(17-6-1)47-35-48(40-18-7-2-8-19-40)37-49(36-47)45-30-33-52-51-26-13-14-27-53(51)61(54(52)38-45)50-31-28-41(29-32-50)44-24-15-25-46(34-44)57-59-55(42-20-9-3-10-21-42)58-56(60-57)43-22-11-4-12-23-43/h1-36,38,49H,37H2
InChIKeyUGKLJPLXRWHSCG-UHFFFAOYSA-N
MW780.98 g/mol
LogP14.29
Rot. Bonds8

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

2-(3,5-diphenylcyclohexa-2,4-dien-1-yl)-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole (PubChem CID 135143843) has the molecular formula C57H40N4 and a molecular weight of 780.98 g/mol. Its IUPAC name is 2-(3,5-diphenylcyclohexa-2,4-dien-1-yl)-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name2-(3,5-diphenylcyclohexa-2,4-dien-1-yl)-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
PubChem CID135143843
Molecular FormulaC57H40N4
Molecular Weight780.98 g/mol
Exact Mass780.33
IUPAC Name2-(3,5-diphenylcyclohexa-2,4-dien-1-yl)-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
SMILESC1=C(c2ccccc2)C=C(c2ccccc2)CC1c1ccc2c3ccccc3n(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)c2c1
InChIInChI=1S/C57H40N4/c1-5-16-39(17-6-1)47-35-48(40-18-7-2-8-19-40)37-49(36-47)45-30-33-52-51-26-13-14-27-53(51)61(54(52)38-45)50-31-28-41(29-32-50)44-24-15-25-46(34-44)57-59-55(42-20-9-3-10-21-42)58-56(60-57)43-22-11-4-12-23-43/h1-36,38,49H,37H2
InChIKeyUGKLJPLXRWHSCG-UHFFFAOYSA-N
XLogP14.29
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.98
LogP ≤ 514.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 135144167
9-[4-(3-phenylphenyl)phenyl]-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087328
9-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155156244
9-[4-[4-[3-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 158533687
9-[4-[4-[3-[3-[4-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 58943500
3-[9-[4-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 134236862
3-[9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511500
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 142377805
2,7-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 88878761
9-[4-[4-[3-[3-[3-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 58943494
9-[4-[4-[4-[4-[3-[4-[4,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 58943409
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 118508799

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylcyclohexa-2,4-dien-1-yl)-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole?
The IUPAC name of 2-(3,5-diphenylcyclohexa-2,4-dien-1-yl)-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole (CID 135143843) is 2-(3,5-diphenylcyclohexa-2,4-dien-1-yl)-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 2-(3,5-diphenylcyclohexa-2,4-dien-1-yl)-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 2-(3,5-diphenylcyclohexa-2,4-dien-1-yl)-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole is C1=C(c2ccccc2)C=C(c2ccccc2)CC1c1ccc2c3ccccc3n(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)c2c1.
What is the InChIKey of 2-(3,5-diphenylcyclohexa-2,4-dien-1-yl)-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole?
The InChIKey is UGKLJPLXRWHSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N4/c1-5-16-39(17-6-1)47-35-48(40-18-7-2-8-19-40)37-49(36-47)45-30-33-52-51-26-13-14-27-53(51)61(54(52)38-45)50-31-28-41(29-32-50)44-24-15-25-46(34-44)57-59-55(42-20-9-3-10-21-42)58-56(60-57)43-22-11-4-12-23-43/h1-36,38,49H,37H2.
What are the key properties of 2-(3,5-diphenylcyclohexa-2,4-dien-1-yl)-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole?
2-(3,5-diphenylcyclohexa-2,4-dien-1-yl)-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole has a molecular weight of 780.98 g/mol, XLogP of 14.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenylcyclohexa-2,4-dien-1-yl)-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 135143843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).