9-phenyl-4-[3-(9-phenylcarbazol-4-yl)-5-triphenylen-2-ylphenyl]carbazole

C60H38N2 — CID 118490729

IUPAC9-phenyl-4-[3-(9-phenylcarbazol-4-yl)-5-triphenylen-2-ylphenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)cccc32)cc1
InChIInChI=1S/C60H38N2/c1-3-17-43(18-4-1)61-55-29-13-11-25-52(55)59-45(27-15-31-57(59)61)41-35-40(39-33-34-51-49-23-8-7-21-47(49)48-22-9-10-24-50(48)54(51)38-39)36-42(37-41)46-28-16-32-58-60(46)53-26-12-14-30-56(53)62(58)44-19-5-2-6-20-44/h1-38H
InChIKeyNESSQBSMVVBJQS-UHFFFAOYSA-N
MW786.98 g/mol
LogP16.34
Rot. Bonds5

About 9-phenyl-4-[3-(9-phenylcarbazol-4-yl)-5-triphenylen-2-ylphenyl]carbazole

9-phenyl-4-[3-(9-phenylcarbazol-4-yl)-5-triphenylen-2-ylphenyl]carbazole (PubChem CID 118490729) has the molecular formula C60H38N2 and a molecular weight of 786.98 g/mol. Its IUPAC name is 9-phenyl-4-[3-(9-phenylcarbazol-4-yl)-5-triphenylen-2-ylphenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-4-[3-(9-phenylcarbazol-4-yl)-5-triphenylen-2-ylphenyl]carbazole
PubChem CID118490729
Molecular FormulaC60H38N2
Molecular Weight786.98 g/mol
Exact Mass786.30
IUPAC Name9-phenyl-4-[3-(9-phenylcarbazol-4-yl)-5-triphenylen-2-ylphenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)cccc32)cc1
InChIInChI=1S/C60H38N2/c1-3-17-43(18-4-1)61-55-29-13-11-25-52(55)59-45(27-15-31-57(59)61)41-35-40(39-33-34-51-49-23-8-7-21-47(49)48-22-9-10-24-50(48)54(51)38-39)36-42(37-41)46-28-16-32-58-60(46)53-26-12-14-30-56(53)62(58)44-19-5-2-6-20-44/h1-38H
InChIKeyNESSQBSMVVBJQS-UHFFFAOYSA-N
XLogP16.34
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.98
LogP ≤ 516.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-phenyl-4-[3-[7-[3-(9-phenylcarbazol-4-yl)phenyl]triphenylen-2-yl]phenyl]carbazole
CID 118490695
9-phenyl-4-(4-triphenylen-2-ylphenyl)carbazole
CID 118488718
9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole
CID 126548022
3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole
CID 146270951
3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole;3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;4-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole;9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 161127912
4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 166660662
4-[3-(4-chlorophenyl)-5-phenylphenyl]-9-phenylcarbazole
CID 176878196
4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 118231228
5,9-diphenyl-3-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 134369810
4-(3-methyl-5-phenylphenyl)-9-phenylcarbazole
CID 126592656
4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 165386046
9-phenyl-4-[3-phenyl-5-(4-pyren-2-ylphenyl)phenyl]carbazole
CID 90126083

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-[3-(9-phenylcarbazol-4-yl)-5-triphenylen-2-ylphenyl]carbazole?
The IUPAC name of 9-phenyl-4-[3-(9-phenylcarbazol-4-yl)-5-triphenylen-2-ylphenyl]carbazole (CID 118490729) is 9-phenyl-4-[3-(9-phenylcarbazol-4-yl)-5-triphenylen-2-ylphenyl]carbazole.
What is the SMILES notation for 9-phenyl-4-[3-(9-phenylcarbazol-4-yl)-5-triphenylen-2-ylphenyl]carbazole?
The canonical SMILES for 9-phenyl-4-[3-(9-phenylcarbazol-4-yl)-5-triphenylen-2-ylphenyl]carbazole is c1ccc(-n2c3ccccc3c3c(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)cccc32)cc1.
What is the InChIKey of 9-phenyl-4-[3-(9-phenylcarbazol-4-yl)-5-triphenylen-2-ylphenyl]carbazole?
The InChIKey is NESSQBSMVVBJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2/c1-3-17-43(18-4-1)61-55-29-13-11-25-52(55)59-45(27-15-31-57(59)61)41-35-40(39-33-34-51-49-23-8-7-21-47(49)48-22-9-10-24-50(48)54(51)38-39)36-42(37-41)46-28-16-32-58-60(46)53-26-12-14-30-56(53)62(58)44-19-5-2-6-20-44/h1-38H.
What are the key properties of 9-phenyl-4-[3-(9-phenylcarbazol-4-yl)-5-triphenylen-2-ylphenyl]carbazole?
9-phenyl-4-[3-(9-phenylcarbazol-4-yl)-5-triphenylen-2-ylphenyl]carbazole has a molecular weight of 786.98 g/mol, XLogP of 16.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-4-[3-(9-phenylcarbazol-4-yl)-5-triphenylen-2-ylphenyl]carbazole is sourced from PubChem (CID 118490729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).