3-[9-(4,6-diphenyl-1,2-dihydropyridin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole

C59H39N3 — CID 146280207

IUPAC3-[9-(4,6-diphenyl-1,2-dihydropyridin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
SMILESC1=C(c2ccccc2)C=C(c2ccccc2)NC1n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)ccc21
InChIInChI=1S/C59H39N3/c1-3-15-38(16-4-1)42-35-54(39-17-5-2-6-18-39)60-59(36-42)62-56-26-14-12-24-50(56)53-34-41(28-32-58(53)62)40-27-31-57-52(33-40)49-23-11-13-25-55(49)61(57)43-29-30-48-46-21-8-7-19-44(46)45-20-9-10-22-47(45)51(48)37-43/h1-37,59-60H
InChIKeyQGFKKQNOEDVYKR-UHFFFAOYSA-N
MW789.98 g/mol
LogP15.24
Rot. Bonds5

About 3-[9-(4,6-diphenyl-1,2-dihydropyridin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole

3-[9-(4,6-diphenyl-1,2-dihydropyridin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole (PubChem CID 146280207) has the molecular formula C59H39N3 and a molecular weight of 789.98 g/mol. Its IUPAC name is 3-[9-(4,6-diphenyl-1,2-dihydropyridin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole.

Molecular Properties

Compound Name3-[9-(4,6-diphenyl-1,2-dihydropyridin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
PubChem CID146280207
Molecular FormulaC59H39N3
Molecular Weight789.98 g/mol
Exact Mass789.31
IUPAC Name3-[9-(4,6-diphenyl-1,2-dihydropyridin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
SMILESC1=C(c2ccccc2)C=C(c2ccccc2)NC1n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)ccc21
InChIInChI=1S/C59H39N3/c1-3-15-38(16-4-1)42-35-54(39-17-5-2-6-18-39)60-59(36-42)62-56-26-14-12-24-50(56)53-34-41(28-32-58(53)62)40-27-31-57-52(33-40)49-23-11-13-25-55(49)61(57)43-29-30-48-46-21-8-7-19-44(46)45-20-9-10-22-47(45)51(48)37-43/h1-37,59-60H
InChIKeyQGFKKQNOEDVYKR-UHFFFAOYSA-N
XLogP15.24
TPSA21.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.98
LogP ≤ 515.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-(4-phenyl-1,2-dihydropyridin-2-yl)carbazole
CID 129199948
3,6-di(carbazol-9-yl)-9-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazole
CID 137123827
5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole
CID 147253407
3-carbazol-9-yl-9-[6-carbazol-9-yl-2-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]carbazole
CID 137123824
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 146226350
5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole
CID 90441162
9-phenyl-3-[4-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]carbazole
CID 126682035
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole
CID 160984322
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 164968359

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4,6-diphenyl-1,2-dihydropyridin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole?
The IUPAC name of 3-[9-(4,6-diphenyl-1,2-dihydropyridin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole (CID 146280207) is 3-[9-(4,6-diphenyl-1,2-dihydropyridin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole.
What is the SMILES notation for 3-[9-(4,6-diphenyl-1,2-dihydropyridin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole?
The canonical SMILES for 3-[9-(4,6-diphenyl-1,2-dihydropyridin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole is C1=C(c2ccccc2)C=C(c2ccccc2)NC1n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)ccc21.
What is the InChIKey of 3-[9-(4,6-diphenyl-1,2-dihydropyridin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole?
The InChIKey is QGFKKQNOEDVYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N3/c1-3-15-38(16-4-1)42-35-54(39-17-5-2-6-18-39)60-59(36-42)62-56-26-14-12-24-50(56)53-34-41(28-32-58(53)62)40-27-31-57-52(33-40)49-23-11-13-25-55(49)61(57)43-29-30-48-46-21-8-7-19-44(46)45-20-9-10-22-47(45)51(48)37-43/h1-37,59-60H.
What are the key properties of 3-[9-(4,6-diphenyl-1,2-dihydropyridin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole?
3-[9-(4,6-diphenyl-1,2-dihydropyridin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole has a molecular weight of 789.98 g/mol, XLogP of 15.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4,6-diphenyl-1,2-dihydropyridin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole is sourced from PubChem (CID 146280207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).