N-(2,4-diphenylphenyl)-4-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-2-amine

C50H35N — CID 176588575

IUPACN-(2,4-diphenylphenyl)-4-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2cccc(N(c3cc(-c4cccc5ccccc45)c4ccccc4c3)c3ccc(-c4ccccc4)cc3-c3ccccc3)c2)cc1
InChIInChI=1S/C50H35N/c1-4-16-36(17-5-1)40-25-14-26-43(32-40)51(50-31-30-41(37-18-6-2-7-19-37)34-48(50)39-20-8-3-9-21-39)44-33-42-23-11-13-28-46(42)49(35-44)47-29-15-24-38-22-10-12-27-45(38)47/h1-35H
InChIKeyNQIBITQNMPYDIU-UHFFFAOYSA-N
MW649.84 g/mol
LogP14.13
Rot. Bonds7

About N-(2,4-diphenylphenyl)-4-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-2-amine

N-(2,4-diphenylphenyl)-4-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-2-amine (PubChem CID 176588575) has the molecular formula C50H35N and a molecular weight of 649.84 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-4-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-(2,4-diphenylphenyl)-4-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-2-amine
PubChem CID176588575
Molecular FormulaC50H35N
Molecular Weight649.84 g/mol
Exact Mass649.28
IUPAC NameN-(2,4-diphenylphenyl)-4-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2cccc(N(c3cc(-c4cccc5ccccc45)c4ccccc4c3)c3ccc(-c4ccccc4)cc3-c3ccccc3)c2)cc1
InChIInChI=1S/C50H35N/c1-4-16-36(17-5-1)40-25-14-26-43(32-40)51(50-31-30-41(37-18-6-2-7-19-37)34-48(50)39-20-8-3-9-21-39)44-33-42-23-11-13-28-46(42)49(35-44)47-29-15-24-38-22-10-12-27-45(38)47/h1-35H
InChIKeyNQIBITQNMPYDIU-UHFFFAOYSA-N
XLogP14.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.84
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-2,4-diphenylaniline
CID 166566557
N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 155123201
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2,4-diphenylaniline
CID 163718769
4-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 166589751
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine
CID 167183092
4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170140942
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175
2-N,7-N-bis(4-naphthalen-1-ylphenyl)-3,5-diphenyl-2-N,7-N-bis(2-phenylphenyl)naphthalene-2,7-diamine;2-N,7-N-bis(4-naphthalen-1-ylphenyl)-3,5-diphenyl-2-N,7-N-bis(3-phenylphenyl)naphthalene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-3,5-diphenyl-2-N,7-N-bis(2-phenylphenyl)naphthalene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-3,5-diphenyl-2-N,7-N-bis(3-phenylphenyl)naphthalene-2,7-diamine;2-N,7-N,3,5-tetraphenyl-2-N,7-N-bis(2-phenylphenyl)naphthalene-2,7-diamine;2-N,7-N,3,5-tetraphenyl-2-N,7-N-bis(3-phenylphenyl)naphthalene-2,7-diamine
CID 159099689
N-(3-naphthalen-1-ylphenyl)-3,5-diphenyl-N-(2-phenylphenyl)aniline
CID 167324104
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline
CID 155122986
N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501661
5-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 167236266

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenylphenyl)-4-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-(2,4-diphenylphenyl)-4-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-2-amine (CID 176588575) is N-(2,4-diphenylphenyl)-4-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-(2,4-diphenylphenyl)-4-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-(2,4-diphenylphenyl)-4-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-2-amine is c1ccc(-c2cccc(N(c3cc(-c4cccc5ccccc45)c4ccccc4c3)c3ccc(-c4ccccc4)cc3-c3ccccc3)c2)cc1.
What is the InChIKey of N-(2,4-diphenylphenyl)-4-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-2-amine?
The InChIKey is NQIBITQNMPYDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N/c1-4-16-36(17-5-1)40-25-14-26-43(32-40)51(50-31-30-41(37-18-6-2-7-19-37)34-48(50)39-20-8-3-9-21-39)44-33-42-23-11-13-28-46(42)49(35-44)47-29-15-24-38-22-10-12-27-45(38)47/h1-35H.
What are the key properties of N-(2,4-diphenylphenyl)-4-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-2-amine?
N-(2,4-diphenylphenyl)-4-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-2-amine has a molecular weight of 649.84 g/mol, XLogP of 14.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diphenylphenyl)-4-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 176588575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).