6,9-diphenyl-2-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole

C60H39N — CID 122492358

IUPAC6,9-diphenyl-2-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-c4ccc5c6cc(-c7ccccc7)ccc6n(-c6ccccc6)c5c4)c3)c2)cc1
InChIInChI=1S/C60H39N/c1-4-15-40(16-5-1)42-19-14-20-43(33-42)47-34-48(45-27-30-55-53-25-11-10-23-51(53)52-24-12-13-26-54(52)57(55)37-45)36-49(35-47)46-28-31-56-58-38-44(41-17-6-2-7-18-41)29-32-59(58)61(60(56)39-46)50-21-8-3-9-22-50/h1-39H
InChIKeyBGQBHLLOWPGOGG-UHFFFAOYSA-N
MW773.98 g/mol
LogP16.58
Rot. Bonds6

About 6,9-diphenyl-2-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole

6,9-diphenyl-2-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole (PubChem CID 122492358) has the molecular formula C60H39N and a molecular weight of 773.98 g/mol. Its IUPAC name is 6,9-diphenyl-2-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole.

Molecular Properties

Compound Name6,9-diphenyl-2-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
PubChem CID122492358
Molecular FormulaC60H39N
Molecular Weight773.98 g/mol
Exact Mass773.31
IUPAC Name6,9-diphenyl-2-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-c4ccc5c6cc(-c7ccccc7)ccc6n(-c6ccccc6)c5c4)c3)c2)cc1
InChIInChI=1S/C60H39N/c1-4-15-40(16-5-1)42-19-14-20-43(33-42)47-34-48(45-27-30-55-53-25-11-10-23-51(53)52-24-12-13-26-54(52)57(55)37-45)36-49(35-47)46-28-31-56-58-38-44(41-17-6-2-7-18-41)29-32-59(58)61(60(56)39-46)50-21-8-3-9-22-50/h1-39H
InChIKeyBGQBHLLOWPGOGG-UHFFFAOYSA-N
XLogP16.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.98
LogP ≤ 516.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6,9-diphenyl-2-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 122492360
9-phenyl-2-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129225606
6-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-2,9-diphenylcarbazole;9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 162084948
3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[3-(4-phenylphenyl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[4-(3-phenylphenyl)phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165041671
9-phenyl-3-[4-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682010
2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 158200514
3-phenyl-9-[3-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492182
3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084408
2-phenyl-9-(4-phenylphenyl)-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170072561
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-2-yl]carbazole
CID 118231168
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 121262585

Frequently Asked Questions

What is the IUPAC name of 6,9-diphenyl-2-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole?
The IUPAC name of 6,9-diphenyl-2-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole (CID 122492358) is 6,9-diphenyl-2-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole.
What is the SMILES notation for 6,9-diphenyl-2-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole?
The canonical SMILES for 6,9-diphenyl-2-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole is c1ccc(-c2cccc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-c4ccc5c6cc(-c7ccccc7)ccc6n(-c6ccccc6)c5c4)c3)c2)cc1.
What is the InChIKey of 6,9-diphenyl-2-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole?
The InChIKey is BGQBHLLOWPGOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N/c1-4-15-40(16-5-1)42-19-14-20-43(33-42)47-34-48(45-27-30-55-53-25-11-10-23-51(53)52-24-12-13-26-54(52)57(55)37-45)36-49(35-47)46-28-31-56-58-38-44(41-17-6-2-7-18-41)29-32-59(58)61(60(56)39-46)50-21-8-3-9-22-50/h1-39H.
What are the key properties of 6,9-diphenyl-2-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole?
6,9-diphenyl-2-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole has a molecular weight of 773.98 g/mol, XLogP of 16.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-diphenyl-2-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole is sourced from PubChem (CID 122492358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).