3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole

C54H34N2 — CID 147763245

IUPAC3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole
SMILESc1ccc(-c2cccc3c2c2ccccc2c2cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c23)cc1
InChIInChI=1S/C54H34N2/c1-3-15-35(16-4-1)39-23-13-25-45-53(39)43-22-8-7-19-40(43)44-24-14-28-52(54(44)45)56-49-27-12-10-21-42(49)47-34-37(30-32-51(47)56)36-29-31-50-46(33-36)41-20-9-11-26-48(41)55(50)38-17-5-2-6-18-38/h1-34H
InChIKeyHEMJDGFPNLYXEE-UHFFFAOYSA-N
MW710.88 g/mol
LogP14.67
Rot. Bonds4

About 3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole

3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole (PubChem CID 147763245) has the molecular formula C54H34N2 and a molecular weight of 710.88 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole
PubChem CID147763245
Molecular FormulaC54H34N2
Molecular Weight710.88 g/mol
Exact Mass710.27
IUPAC Name3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole
SMILESc1ccc(-c2cccc3c2c2ccccc2c2cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c23)cc1
InChIInChI=1S/C54H34N2/c1-3-15-35(16-4-1)39-23-13-25-45-53(39)43-22-8-7-19-40(43)44-24-14-28-52(54(44)45)56-49-27-12-10-21-42(49)47-34-37(30-32-51(47)56)36-29-31-50-46(33-36)41-20-9-11-26-48(41)55(50)38-17-5-2-6-18-38/h1-34H
InChIKeyHEMJDGFPNLYXEE-UHFFFAOYSA-N
XLogP14.67
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.88
LogP ≤ 514.67
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-[8-(4-phenylphenyl)triphenylen-1-yl]carbazole
CID 149305333
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-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 170060036
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
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
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

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole (CID 147763245) is 3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole is c1ccc(-c2cccc3c2c2ccccc2c2cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c23)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole?
The InChIKey is HEMJDGFPNLYXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2/c1-3-15-35(16-4-1)39-23-13-25-45-53(39)43-22-8-7-19-40(43)44-24-14-28-52(54(44)45)56-49-27-12-10-21-42(49)47-34-37(30-32-51(47)56)36-29-31-50-46(33-36)41-20-9-11-26-48(41)55(50)38-17-5-2-6-18-38/h1-34H.
What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole?
3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole has a molecular weight of 710.88 g/mol, XLogP of 14.67, 4 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-(9-phenyltriphenylen-1-yl)carbazole is sourced from PubChem (CID 147763245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).