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

C54H37N — CID 177080996

IUPACN-[2-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4ccc5ccccc5c4c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C54H37N/c1-3-14-38(15-4-1)50-35-31-44(36-52(50)40-16-5-2-6-17-40)51-23-11-12-25-54(51)55(46-34-30-43-27-26-41-19-8-10-22-49(41)53(43)37-46)45-32-28-42(29-33-45)48-24-13-20-39-18-7-9-21-47(39)48/h1-37H
InChIKeyTYTIGTXAHBODEL-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.28
Rot. Bonds7

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

N-[2-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine (PubChem CID 177080996) has the molecular formula C54H37N and a molecular weight of 699.90 g/mol. Its IUPAC name is N-[2-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine.

Molecular Properties

Compound NameN-[2-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine
PubChem CID177080996
Molecular FormulaC54H37N
Molecular Weight699.90 g/mol
Exact Mass699.29
IUPAC NameN-[2-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4ccc5ccccc5c4c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C54H37N/c1-3-14-38(15-4-1)50-35-31-44(36-52(50)40-16-5-2-6-17-40)51-23-11-12-25-54(51)55(46-34-30-43-27-26-41-19-8-10-22-49(41)53(43)37-46)45-32-28-42(29-33-45)48-24-13-20-39-18-7-9-21-47(39)48/h1-37H
InChIKeyTYTIGTXAHBODEL-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-(3,4-diphenylphenyl)-N-[2-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-3-amine
CID 177081066
N-(3,4-diphenylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]phenanthren-3-amine
CID 177080942
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-ylphenanthren-1-amine
CID 168809817
2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172503058
N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 164831639
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)aniline
CID 167234762
N-[2-(4-chrysen-3-yl-2-phenylphenyl)phenyl]-N-phenylphenanthren-3-amine
CID 170141651
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501407
2-phenanthren-3-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 142614538
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172501525
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline
CID 155122986

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine?
The IUPAC name of N-[2-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine (CID 177080996) is N-[2-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine.
What is the SMILES notation for N-[2-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine?
The canonical SMILES for N-[2-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4ccc5ccccc5c4c3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-[2-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine?
The InChIKey is TYTIGTXAHBODEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N/c1-3-14-38(15-4-1)50-35-31-44(36-52(50)40-16-5-2-6-17-40)51-23-11-12-25-54(51)55(46-34-30-43-27-26-41-19-8-10-22-49(41)53(43)37-46)45-32-28-42(29-33-45)48-24-13-20-39-18-7-9-21-47(39)48/h1-37H.
What are the key properties of N-[2-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine?
N-[2-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)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-[2-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine is sourced from PubChem (CID 177080996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).