N-(3,4-diphenylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine

C54H37N — CID 177081062

IUPACN-(3,4-diphenylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4c(-c5ccccc5)ccc5ccccc45)cc3)c3ccc4ccc5ccccc5c4c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C54H37N/c1-4-14-38(15-5-1)49-35-33-47(37-52(49)40-18-8-3-9-19-40)55(46-32-26-43-25-24-41-20-10-12-22-48(41)53(43)36-46)45-30-27-44(28-31-45)54-50-23-13-11-21-42(50)29-34-51(54)39-16-6-2-7-17-39/h1-37H
InChIKeyGKWXLVRNNCBPCH-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.28
Rot. Bonds7

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

N-(3,4-diphenylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine (PubChem CID 177081062) has the molecular formula C54H37N and a molecular weight of 699.90 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
PubChem CID177081062
Molecular FormulaC54H37N
Molecular Weight699.90 g/mol
Exact Mass699.29
IUPAC NameN-(3,4-diphenylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4c(-c5ccccc5)ccc5ccccc45)cc3)c3ccc4ccc5ccccc5c4c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C54H37N/c1-4-14-38(15-5-1)49-35-33-47(37-52(49)40-18-8-3-9-19-40)55(46-32-26-43-25-24-41-20-10-12-22-48(41)53(43)36-46)45-30-27-44(28-31-45)54-50-23-13-11-21-42(50)29-34-51(54)39-16-6-2-7-17-39/h1-37H
InChIKeyGKWXLVRNNCBPCH-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-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177080967
N-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177081043
N-(3,4-diphenylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 177080941
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 172526971
N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526975
N-[4-[1-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-2-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 166916880
N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527395
N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-3-amine
CID 177081123
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527339
N-(4-phenanthren-9-ylphenyl)-3-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172527319
2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527554
N-[4-(4-fluorophenyl)-3-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine
CID 177080976

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine (CID 177081062) is N-(3,4-diphenylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4c(-c5ccccc5)ccc5ccccc45)cc3)c3ccc4ccc5ccccc5c4c3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine?
The InChIKey is GKWXLVRNNCBPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N/c1-4-14-38(15-5-1)49-35-33-47(37-52(49)40-18-8-3-9-19-40)55(46-32-26-43-25-24-41-20-10-12-22-48(41)53(43)36-46)45-30-27-44(28-31-45)54-50-23-13-11-21-42(50)29-34-51(54)39-16-6-2-7-17-39/h1-37H.
What are the key properties of N-(3,4-diphenylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine?
N-(3,4-diphenylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)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-[4-(2-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine is sourced from PubChem (CID 177081062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).