N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine

C56H38N2 — CID 169064644

IUPACN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5ccccc5)c5cccc6c5c5ccccc5n6-c5ccccc5)c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C56H38N2/c1-5-19-39(20-6-1)54-48-30-14-13-29-46(48)47-36-35-42(38-50(47)55(54)40-21-7-2-8-22-40)41-23-17-28-45(37-41)57(43-24-9-3-10-25-43)52-33-18-34-53-56(52)49-31-15-16-32-51(49)58(53)44-26-11-4-12-27-44/h1-38H
InChIKeyCAQTZOJAWAQNAD-UHFFFAOYSA-N
MW738.93 g/mol
LogP15.56
Rot. Bonds7

About N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine

N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine (PubChem CID 169064644) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine.

Molecular Properties

Compound NameN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine
PubChem CID169064644
Molecular FormulaC56H38N2
Molecular Weight738.93 g/mol
Exact Mass738.30
IUPAC NameN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5ccccc5)c5cccc6c5c5ccccc5n6-c5ccccc5)c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C56H38N2/c1-5-19-39(20-6-1)54-48-30-14-13-29-46(48)47-36-35-42(38-50(47)55(54)40-21-7-2-8-22-40)41-23-17-28-45(37-41)57(43-24-9-3-10-25-43)52-33-18-34-53-56(52)49-31-15-16-32-51(49)58(53)44-26-11-4-12-27-44/h1-38H
InChIKeyCAQTZOJAWAQNAD-UHFFFAOYSA-N
XLogP15.56
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 515.56
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-(9,10-diphenylphenanthren-2-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 169062702
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-2-amine
CID 169065210
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]phenanthren-1-amine
CID 169062808
3-(9,10-diphenylphenanthren-2-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 169065260
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)aniline
CID 169065141
N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-2-yl-N-phenylcarbazol-4-amine
CID 169063768
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 174258250
N,9-diphenyl-N-[10-(4-phenylphenyl)phenanthren-9-yl]carbazol-4-amine
CID 155305653
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-4-amine
CID 174257716
N,N,9-triphenyl-6-(9-phenylcarbazol-3-yl)carbazol-4-amine
CID 134369862
N-(4-chrysen-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine
CID 170138400
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-3-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 169063501

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine?
The IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine (CID 169064644) is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine.
What is the SMILES notation for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine?
The canonical SMILES for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine is c1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5ccccc5)c5cccc6c5c5ccccc5n6-c5ccccc5)c4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine?
The InChIKey is CAQTZOJAWAQNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-5-19-39(20-6-1)54-48-30-14-13-29-46(48)47-36-35-42(38-50(47)55(54)40-21-7-2-8-22-40)41-23-17-28-45(37-41)57(43-24-9-3-10-25-43)52-33-18-34-53-56(52)49-31-15-16-32-51(49)58(53)44-26-11-4-12-27-44/h1-38H.
What are the key properties of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine?
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine has a molecular weight of 738.93 g/mol, XLogP of 15.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine is sourced from PubChem (CID 169064644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).