N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine

C66H42N2O — CID 153315214

IUPACN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine
SMILESc1cc(-c2ccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc(-c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C66H42N2O/c1-2-19-55-53(17-1)54-18-3-4-20-56(54)62-42-52(36-38-57(55)62)67(49-32-27-43(28-33-49)45-13-11-14-46(39-45)48-31-37-61-60-23-7-10-26-65(60)69-66(61)41-48)50-34-29-44(30-35-50)47-15-12-16-51(40-47)68-63-24-8-5-21-58(63)59-22-6-9-25-64(59)68/h1-42H
InChIKeyWZUUQOVQWAVKJG-UHFFFAOYSA-N
MW879.08 g/mol
LogP18.61
Rot. Bonds7

About N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine (PubChem CID 153315214) has the molecular formula C66H42N2O and a molecular weight of 879.08 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine
PubChem CID153315214
Molecular FormulaC66H42N2O
Molecular Weight879.08 g/mol
Exact Mass878.33
IUPAC NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine
SMILESc1cc(-c2ccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc(-c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C66H42N2O/c1-2-19-55-53(17-1)54-18-3-4-20-56(54)62-42-52(36-38-57(55)62)67(49-32-27-43(28-33-49)45-13-11-14-46(39-45)48-31-37-61-60-23-7-10-26-65(60)69-66(61)41-48)50-34-29-44(30-35-50)47-15-12-16-51(40-47)68-63-24-8-5-21-58(63)59-22-6-9-25-64(59)68/h1-42H
InChIKeyWZUUQOVQWAVKJG-UHFFFAOYSA-N
XLogP18.61
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.08
LogP ≤ 518.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)aniline
CID 153314608
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153012599
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)aniline
CID 148685552
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 153314610
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 147399536
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline
CID 153315131
N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3-phenylaniline
CID 153314771
4-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenanthren-9-ylphenyl)aniline
CID 153314938
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline
CID 147432395
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 121260620
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 153315011
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 153314748

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine?
The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine (CID 153315214) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine.
What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine?
The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine is c1cc(-c2ccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc(-c2ccc3c(c2)oc2ccccc23)c1.
What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine?
The InChIKey is WZUUQOVQWAVKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2O/c1-2-19-55-53(17-1)54-18-3-4-20-56(54)62-42-52(36-38-57(55)62)67(49-32-27-43(28-33-49)45-13-11-14-46(39-45)48-31-37-61-60-23-7-10-26-65(60)69-66(61)41-48)50-34-29-44(30-35-50)47-15-12-16-51(40-47)68-63-24-8-5-21-58(63)59-22-6-9-25-64(59)68/h1-42H.
What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine?
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine has a molecular weight of 879.08 g/mol, XLogP of 18.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine is sourced from PubChem (CID 153315214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).