9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[4-[(1S)-cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-6-[(4R)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-3,6-diphenylcarbazole

C69H52N4 — CID 167072509

IUPAC9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[4-[(1S)-cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-6-[(4R)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-3,6-diphenylcarbazole
SMILESC1=CCC(c2ccc(-c3cc(-c4nc(-c5ccccc5)nc([C@@H]5C=CC=CC5)n4)cc(C4=CC[C@@H](c5ccccc5)C=C4)c3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2)C=C1
InChIInChI=1S/C69H52N4/c1-7-19-47(20-8-1)51-31-35-53(36-32-51)60-45-59(69-71-67(55-27-15-5-16-28-55)70-68(72-69)56-29-17-6-18-30-56)46-61(54-37-33-52(34-38-54)48-21-9-2-10-22-48)66(60)73-64-41-39-57(49-23-11-3-12-24-49)43-62(64)63-44-58(40-42-65(63)73)50-25-13-4-14-26-50/h1-21,23-29,31,33-46,48,51,56H,22,30,32H2/t48?,51-,56+/m0/s1
InChIKeyBPYDWWSHEMXBKG-BDBQSZJCSA-N
MW937.20 g/mol
LogP17.63
Rot. Bonds10

About 9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[4-[(1S)-cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-6-[(4R)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-3,6-diphenylcarbazole

9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[4-[(1S)-cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-6-[(4R)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-3,6-diphenylcarbazole (PubChem CID 167072509) has the molecular formula C69H52N4 and a molecular weight of 937.20 g/mol. Its IUPAC name is 9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[4-[(1S)-cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-6-[(4R)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[4-[(1S)-cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-6-[(4R)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-3,6-diphenylcarbazole
PubChem CID167072509
Molecular FormulaC69H52N4
Molecular Weight937.20 g/mol
Exact Mass936.42
IUPAC Name9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[4-[(1S)-cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-6-[(4R)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-3,6-diphenylcarbazole
SMILESC1=CCC(c2ccc(-c3cc(-c4nc(-c5ccccc5)nc([C@@H]5C=CC=CC5)n4)cc(C4=CC[C@@H](c5ccccc5)C=C4)c3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2)C=C1
InChIInChI=1S/C69H52N4/c1-7-19-47(20-8-1)51-31-35-53(36-32-51)60-45-59(69-71-67(55-27-15-5-16-28-55)70-68(72-69)56-29-17-6-18-30-56)46-61(54-37-33-52(34-38-54)48-21-9-2-10-22-48)66(60)73-64-41-39-57(49-23-11-3-12-24-49)43-62(64)63-44-58(40-42-65(63)73)50-25-13-4-14-26-50/h1-21,23-29,31,33-46,48,51,56H,22,30,32H2/t48?,51-,56+/m0/s1
InChIKeyBPYDWWSHEMXBKG-BDBQSZJCSA-N
XLogP17.63
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.20
LogP ≤ 517.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[4-[(1S)-cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-6-[(4R)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-3,6-diphenylcarbazole with MolForge

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Related Compounds

9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole
CID 167401664
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)phenyl]-6-phenylcarbazole
CID 167403511
5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 171771502
9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole
CID 153304404
9-[2-cyclohexa-1,5-dien-1-yl-4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-3,6-diphenylcarbazole
CID 177276855
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
5-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole
CID 155179799
3-carbazol-9-yl-9-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(4-phenylphenyl)phenyl]-5-phenylcarbazole
CID 177276951
9-[4-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 155205585
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-(2,3-dihydrodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-phenylcarbazole
CID 153304402
9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 167403537

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[4-[(1S)-cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-6-[(4R)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[4-[(1S)-cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-6-[(4R)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-3,6-diphenylcarbazole (CID 167072509) is 9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[4-[(1S)-cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-6-[(4R)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[4-[(1S)-cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-6-[(4R)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[4-[(1S)-cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-6-[(4R)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-3,6-diphenylcarbazole is C1=CCC(c2ccc(-c3cc(-c4nc(-c5ccccc5)nc([C@@H]5C=CC=CC5)n4)cc(C4=CC[C@@H](c5ccccc5)C=C4)c3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2)C=C1.
What is the InChIKey of 9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[4-[(1S)-cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-6-[(4R)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-3,6-diphenylcarbazole?
The InChIKey is BPYDWWSHEMXBKG-BDBQSZJCSA-N. The full InChI is InChI=1S/C69H52N4/c1-7-19-47(20-8-1)51-31-35-53(36-32-51)60-45-59(69-71-67(55-27-15-5-16-28-55)70-68(72-69)56-29-17-6-18-30-56)46-61(54-37-33-52(34-38-54)48-21-9-2-10-22-48)66(60)73-64-41-39-57(49-23-11-3-12-24-49)43-62(64)63-44-58(40-42-65(63)73)50-25-13-4-14-26-50/h1-21,23-29,31,33-46,48,51,56H,22,30,32H2/t48?,51-,56+/m0/s1.
What are the key properties of 9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[4-[(1S)-cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-6-[(4R)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-3,6-diphenylcarbazole?
9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[4-[(1S)-cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-6-[(4R)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-3,6-diphenylcarbazole has a molecular weight of 937.20 g/mol, XLogP of 17.63, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[4-[(1S)-cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-6-[(4R)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 167072509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).