N-(3,5-diphenylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-4-amine

C56H39N — CID 169064773

IUPACN-(3,5-diphenylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-4-amine
SMILESc1ccc(-c2cccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3cccc4c(-c5ccccc5)c(-c5ccccc5)c5ccccc5c34)c2)cc1
InChIInChI=1S/C56H39N/c1-6-20-40(21-7-1)45-30-18-31-48(37-45)57(49-38-46(41-22-8-2-9-23-41)36-47(39-49)42-24-10-3-11-25-42)53-35-19-34-52-55(44-28-14-5-15-29-44)54(43-26-12-4-13-27-43)50-32-16-17-33-51(50)56(52)53/h1-39H
InChIKeyXKMRBBYRGSEWTG-UHFFFAOYSA-N
MW725.94 g/mol
LogP15.80
Rot. Bonds8

About N-(3,5-diphenylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-4-amine

N-(3,5-diphenylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-4-amine (PubChem CID 169064773) has the molecular formula C56H39N and a molecular weight of 725.94 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-4-amine.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-4-amine
PubChem CID169064773
Molecular FormulaC56H39N
Molecular Weight725.94 g/mol
Exact Mass725.31
IUPAC NameN-(3,5-diphenylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-4-amine
SMILESc1ccc(-c2cccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3cccc4c(-c5ccccc5)c(-c5ccccc5)c5ccccc5c34)c2)cc1
InChIInChI=1S/C56H39N/c1-6-20-40(21-7-1)45-30-18-31-48(37-45)57(49-38-46(41-22-8-2-9-23-41)36-47(39-49)42-24-10-3-11-25-42)53-35-19-34-52-55(44-28-14-5-15-29-44)54(43-26-12-4-13-27-43)50-32-16-17-33-51(50)56(52)53/h1-39H
InChIKeyXKMRBBYRGSEWTG-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

9,10-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-4-amine
CID 169063139
N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 169061750
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064457
4-N-[9,10-bis(3-phenylphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 58184725
3-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 155304955
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline
CID 169063469
N,N-bis(2,4-diphenylphenyl)-9,10-diphenylphenanthren-4-amine
CID 169062280
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-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)triphenylen-1-amine
CID 167265700
N-[4-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-4-amine
CID 169065488
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
1-N,10-N-diphenyl-1-N,10-N-bis(3-phenylphenyl)chrysene-1,10-diamine
CID 170410737

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-4-amine?
The IUPAC name of N-(3,5-diphenylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-4-amine (CID 169064773) is N-(3,5-diphenylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-4-amine.
What is the SMILES notation for N-(3,5-diphenylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-4-amine?
The canonical SMILES for N-(3,5-diphenylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-4-amine is c1ccc(-c2cccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3cccc4c(-c5ccccc5)c(-c5ccccc5)c5ccccc5c34)c2)cc1.
What is the InChIKey of N-(3,5-diphenylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-4-amine?
The InChIKey is XKMRBBYRGSEWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N/c1-6-20-40(21-7-1)45-30-18-31-48(37-45)57(49-38-46(41-22-8-2-9-23-41)36-47(39-49)42-24-10-3-11-25-42)53-35-19-34-52-55(44-28-14-5-15-29-44)54(43-26-12-4-13-27-43)50-32-16-17-33-51(50)56(52)53/h1-39H.
What are the key properties of N-(3,5-diphenylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-4-amine?
N-(3,5-diphenylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-4-amine 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-(3,5-diphenylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-4-amine is sourced from PubChem (CID 169064773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).