N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline

C56H39N — CID 169063469

IUPACN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)c3)c2)cc1
InChIInChI=1S/C56H39N/c1-6-19-40(20-7-1)46-35-47(41-21-8-2-9-22-41)38-50(37-46)57(48-28-14-5-15-29-48)49-30-18-27-44(36-49)45-33-34-52-51-31-16-17-32-53(51)55(42-23-10-3-11-24-42)56(54(52)39-45)43-25-12-4-13-26-43/h1-39H
InChIKeyADMOBONJFHLGRQ-UHFFFAOYSA-N
MW725.94 g/mol
LogP15.80
Rot. Bonds8

About N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline

N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline (PubChem CID 169063469) has the molecular formula C56H39N and a molecular weight of 725.94 g/mol. Its IUPAC name is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline.

Molecular Properties

Compound NameN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline
PubChem CID169063469
Molecular FormulaC56H39N
Molecular Weight725.94 g/mol
Exact Mass725.31
IUPAC NameN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)c3)c2)cc1
InChIInChI=1S/C56H39N/c1-6-19-40(20-7-1)46-35-47(41-21-8-2-9-22-41)38-50(37-46)57(48-28-14-5-15-29-48)49-30-18-27-44(36-49)45-33-34-52-51-31-16-17-32-53(51)55(42-23-10-3-11-24-42)56(54(52)39-45)43-25-12-4-13-26-43/h1-39H
InChIKeyADMOBONJFHLGRQ-UHFFFAOYSA-N
XLogP15.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.94
LogP ≤ 515.80
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

N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064457
3-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 155304955
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline
CID 169062227
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,5-diphenylphenyl)dibenzothiophen-2-amine
CID 169062180
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 59221815
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline
CID 169062698
N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 169061750
N-(3,5-diphenylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenylphenanthren-3-amine
CID 169064228
7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine
CID 88884899
N,3-diphenyl-N-[3-[10-[3-[10-[3-(N-(3-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]aniline
CID 59194316
3-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 169062986
3-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134453682

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline?
The IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline (CID 169063469) is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline.
What is the SMILES notation for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline?
The canonical SMILES for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)c3)c2)cc1.
What is the InChIKey of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline?
The InChIKey is ADMOBONJFHLGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N/c1-6-19-40(20-7-1)46-35-47(41-21-8-2-9-22-41)38-50(37-46)57(48-28-14-5-15-29-48)49-30-18-27-44(36-49)45-33-34-52-51-31-16-17-32-53(51)55(42-23-10-3-11-24-42)56(54(52)39-45)43-25-12-4-13-26-43/h1-39H.
What are the key properties of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline?
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline has a molecular weight of 725.94 g/mol, XLogP of 15.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline is sourced from PubChem (CID 169063469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).