3-(9-phenylcarbazol-3-yl)-9-[8-(4-phenylphenyl)triphenylen-1-yl]carbazole

C60H38N2 — CID 149305333

IUPAC3-(9-phenylcarbazol-3-yl)-9-[8-(4-phenylphenyl)triphenylen-1-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc4c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5c5ccccc5c34)cc2)cc1
InChIInChI=1S/C60H38N2/c1-3-15-39(16-4-1)40-29-31-41(32-30-40)45-23-13-24-49-51-25-14-28-58(60(51)50-22-8-7-21-48(50)59(45)49)62-55-27-12-10-20-47(55)53-38-43(34-36-57(53)62)42-33-35-56-52(37-42)46-19-9-11-26-54(46)61(56)44-17-5-2-6-18-44/h1-38H
InChIKeyXXOBNJDVULEOAF-UHFFFAOYSA-N
MW786.98 g/mol
LogP16.34
Rot. Bonds5

About 3-(9-phenylcarbazol-3-yl)-9-[8-(4-phenylphenyl)triphenylen-1-yl]carbazole

3-(9-phenylcarbazol-3-yl)-9-[8-(4-phenylphenyl)triphenylen-1-yl]carbazole (PubChem CID 149305333) has the molecular formula C60H38N2 and a molecular weight of 786.98 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-[8-(4-phenylphenyl)triphenylen-1-yl]carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-9-[8-(4-phenylphenyl)triphenylen-1-yl]carbazole
PubChem CID149305333
Molecular FormulaC60H38N2
Molecular Weight786.98 g/mol
Exact Mass786.30
IUPAC Name3-(9-phenylcarbazol-3-yl)-9-[8-(4-phenylphenyl)triphenylen-1-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc4c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5c5ccccc5c34)cc2)cc1
InChIInChI=1S/C60H38N2/c1-3-15-39(16-4-1)40-29-31-41(32-30-40)45-23-13-24-49-51-25-14-28-58(60(51)50-22-8-7-21-48(50)59(45)49)62-55-27-12-10-20-47(55)53-38-43(34-36-57(53)62)42-33-35-56-52(37-42)46-19-9-11-26-54(46)61(56)44-17-5-2-6-18-44/h1-38H
InChIKeyXXOBNJDVULEOAF-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

3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole
CID 147763245
3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161093250
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160944719
9-(2-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159485345
3-(9-phenylcarbazol-3-yl)-9-[2-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 161191083
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590343
3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319609
9-(2-phenylphenyl)-3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]carbazole;9-(3-phenylphenyl)-3-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]carbazole
CID 159114299
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 161451910
3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167219651

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[8-(4-phenylphenyl)triphenylen-1-yl]carbazole?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[8-(4-phenylphenyl)triphenylen-1-yl]carbazole (CID 149305333) is 3-(9-phenylcarbazol-3-yl)-9-[8-(4-phenylphenyl)triphenylen-1-yl]carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-[8-(4-phenylphenyl)triphenylen-1-yl]carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-[8-(4-phenylphenyl)triphenylen-1-yl]carbazole is c1ccc(-c2ccc(-c3cccc4c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5c5ccccc5c34)cc2)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-[8-(4-phenylphenyl)triphenylen-1-yl]carbazole?
The InChIKey is XXOBNJDVULEOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2/c1-3-15-39(16-4-1)40-29-31-41(32-30-40)45-23-13-24-49-51-25-14-28-58(60(51)50-22-8-7-21-48(50)59(45)49)62-55-27-12-10-20-47(55)53-38-43(34-36-57(53)62)42-33-35-56-52(37-42)46-19-9-11-26-54(46)61(56)44-17-5-2-6-18-44/h1-38H.
What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-[8-(4-phenylphenyl)triphenylen-1-yl]carbazole?
3-(9-phenylcarbazol-3-yl)-9-[8-(4-phenylphenyl)triphenylen-1-yl]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 3-(9-phenylcarbazol-3-yl)-9-[8-(4-phenylphenyl)triphenylen-1-yl]carbazole is sourced from PubChem (CID 149305333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).