N-(3,4-diphenylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]phenanthren-3-amine

C54H37N — CID 177080942

IUPACN-(3,4-diphenylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]phenanthren-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3ccccc3-c3ccccc3-c3cccc4ccccc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C54H37N/c1-3-16-38(17-4-1)47-35-34-44(37-52(47)40-18-5-2-6-19-40)55(43-33-32-42-31-30-41-21-8-10-24-46(41)53(42)36-43)54-29-14-13-27-51(54)50-26-12-11-25-49(50)48-28-15-22-39-20-7-9-23-45(39)48/h1-37H
InChIKeyHWRHHQURSJYAJZ-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.28
Rot. Bonds7

About N-(3,4-diphenylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]phenanthren-3-amine

N-(3,4-diphenylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]phenanthren-3-amine (PubChem CID 177080942) has the molecular formula C54H37N and a molecular weight of 699.90 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]phenanthren-3-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]phenanthren-3-amine
PubChem CID177080942
Molecular FormulaC54H37N
Molecular Weight699.90 g/mol
Exact Mass699.29
IUPAC NameN-(3,4-diphenylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]phenanthren-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3ccccc3-c3ccccc3-c3cccc4ccccc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C54H37N/c1-3-16-38(17-4-1)47-35-34-44(37-52(47)40-18-5-2-6-19-40)55(43-33-32-42-31-30-41-21-8-10-24-46(41)53(42)36-43)54-29-14-13-27-51(54)50-26-12-11-25-49(50)48-28-15-22-39-20-7-9-23-45(39)48/h1-37H
InChIKeyHWRHHQURSJYAJZ-UHFFFAOYSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.90
LogP ≤ 515.28
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-[2-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine
CID 177080996
N-(3,4-diphenylphenyl)-N-[2-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-3-amine
CID 177081066
N-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177081043
4-naphthalen-1-yl-N,N-bis(4-naphthalen-1-yl-3-phenylphenyl)-3-phenylaniline
CID 122470453
N-[2-(4-chrysen-3-yl-2-phenylphenyl)phenyl]-N-phenylphenanthren-3-amine
CID 170141651
N-(3,4-diphenylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]naphthalen-1-amine
CID 164832008
N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 164831639
N-(3,4-diphenylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 177080941
N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-3-amine
CID 177081123
N,N-bis(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502561
N-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177080967
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172501525

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]phenanthren-3-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]phenanthren-3-amine (CID 177080942) is N-(3,4-diphenylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]phenanthren-3-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]phenanthren-3-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]phenanthren-3-amine is c1ccc(-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3ccccc3-c3ccccc3-c3cccc4ccccc34)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]phenanthren-3-amine?
The InChIKey is HWRHHQURSJYAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N/c1-3-16-38(17-4-1)47-35-34-44(37-52(47)40-18-5-2-6-19-40)55(43-33-32-42-31-30-41-21-8-10-24-46(41)53(42)36-43)54-29-14-13-27-51(54)50-26-12-11-25-49(50)48-28-15-22-39-20-7-9-23-45(39)48/h1-37H.
What are the key properties of N-(3,4-diphenylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]phenanthren-3-amine?
N-(3,4-diphenylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]phenanthren-3-amine has a molecular weight of 699.90 g/mol, XLogP of 15.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]phenanthren-3-amine is sourced from PubChem (CID 177080942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).