3-[3-[4-[3,5-di(phenanthren-2-yl)phenyl]phenyl]-5-methylphenyl]-9-phenylcarbazole

C65H43N — CID 170671261

IUPAC3-[3-[4-[3,5-di(phenanthren-2-yl)phenyl]phenyl]-5-methylphenyl]-9-phenylcarbazole
SMILESCc1cc(-c2ccc(-c3cc(-c4ccc5c(ccc6ccccc65)c4)cc(-c4ccc5c(ccc6ccccc65)c4)c3)cc2)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1
InChIInChI=1S/C65H43N/c1-42-33-52(37-53(34-42)49-29-32-65-63(41-49)62-17-9-10-18-64(62)66(65)57-13-3-2-4-14-57)43-19-21-44(22-20-43)54-38-55(47-27-30-60-50(35-47)25-23-45-11-5-7-15-58(45)60)40-56(39-54)48-28-31-61-51(36-48)26-24-46-12-6-8-16-59(46)61/h2-41H,1H3
InChIKeyWZOAPHIOLKNPPH-UHFFFAOYSA-N
MW838.07 g/mol
LogP18.04
Rot. Bonds6

About 3-[3-[4-[3,5-di(phenanthren-2-yl)phenyl]phenyl]-5-methylphenyl]-9-phenylcarbazole

3-[3-[4-[3,5-di(phenanthren-2-yl)phenyl]phenyl]-5-methylphenyl]-9-phenylcarbazole (PubChem CID 170671261) has the molecular formula C65H43N and a molecular weight of 838.07 g/mol. Its IUPAC name is 3-[3-[4-[3,5-di(phenanthren-2-yl)phenyl]phenyl]-5-methylphenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-[4-[3,5-di(phenanthren-2-yl)phenyl]phenyl]-5-methylphenyl]-9-phenylcarbazole
PubChem CID170671261
Molecular FormulaC65H43N
Molecular Weight838.07 g/mol
Exact Mass837.34
IUPAC Name3-[3-[4-[3,5-di(phenanthren-2-yl)phenyl]phenyl]-5-methylphenyl]-9-phenylcarbazole
SMILESCc1cc(-c2ccc(-c3cc(-c4ccc5c(ccc6ccccc65)c4)cc(-c4ccc5c(ccc6ccccc65)c4)c3)cc2)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1
InChIInChI=1S/C65H43N/c1-42-33-52(37-53(34-42)49-29-32-65-63(41-49)62-17-9-10-18-64(62)66(65)57-13-3-2-4-14-57)43-19-21-44(22-20-43)54-38-55(47-27-30-60-50(35-47)25-23-45-11-5-7-15-58(45)60)40-56(39-54)48-28-31-61-51(36-48)26-24-46-12-6-8-16-59(46)61/h2-41H,1H3
InChIKeyWZOAPHIOLKNPPH-UHFFFAOYSA-N
XLogP18.04
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.07
LogP ≤ 518.04
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

3-(3-methyl-5-phenylphenyl)-9-phenylcarbazole
CID 123628919
3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888
3-[9-[3,5-bis(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-dimethylphenyl)carbazol-2-yl]-9-(3,5-diphenylphenyl)carbazole;2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159304245
3-[9-(3-methyl-5-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 144560287
3-[9-[4-(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370671
3-[9-[3-(3,5-diphenylphenyl)-5-methylphenyl]carbazol-2-yl]-9-phenylcarbazole
CID 144560195
3-[3,5-di(phenanthren-9-yl)phenyl]-9-phenylcarbazole
CID 87167202
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
3-(4-benzo[a]anthracen-7-ylphenyl)-9-phenylcarbazole
CID 121309011
3,6-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-9-phenylcarbazole
CID 170283637
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 157292241

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[3,5-di(phenanthren-2-yl)phenyl]phenyl]-5-methylphenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-[4-[3,5-di(phenanthren-2-yl)phenyl]phenyl]-5-methylphenyl]-9-phenylcarbazole (CID 170671261) is 3-[3-[4-[3,5-di(phenanthren-2-yl)phenyl]phenyl]-5-methylphenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-[4-[3,5-di(phenanthren-2-yl)phenyl]phenyl]-5-methylphenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-[4-[3,5-di(phenanthren-2-yl)phenyl]phenyl]-5-methylphenyl]-9-phenylcarbazole is Cc1cc(-c2ccc(-c3cc(-c4ccc5c(ccc6ccccc65)c4)cc(-c4ccc5c(ccc6ccccc65)c4)c3)cc2)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.
What is the InChIKey of 3-[3-[4-[3,5-di(phenanthren-2-yl)phenyl]phenyl]-5-methylphenyl]-9-phenylcarbazole?
The InChIKey is WZOAPHIOLKNPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N/c1-42-33-52(37-53(34-42)49-29-32-65-63(41-49)62-17-9-10-18-64(62)66(65)57-13-3-2-4-14-57)43-19-21-44(22-20-43)54-38-55(47-27-30-60-50(35-47)25-23-45-11-5-7-15-58(45)60)40-56(39-54)48-28-31-61-51(36-48)26-24-46-12-6-8-16-59(46)61/h2-41H,1H3.
What are the key properties of 3-[3-[4-[3,5-di(phenanthren-2-yl)phenyl]phenyl]-5-methylphenyl]-9-phenylcarbazole?
3-[3-[4-[3,5-di(phenanthren-2-yl)phenyl]phenyl]-5-methylphenyl]-9-phenylcarbazole has a molecular weight of 838.07 g/mol, XLogP of 18.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[3,5-di(phenanthren-2-yl)phenyl]phenyl]-5-methylphenyl]-9-phenylcarbazole is sourced from PubChem (CID 170671261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).