N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-4-(2-methylpropyl)naphthalen-1-amine

C62H51N3 — CID 140908600

IUPACN,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-4-(2-methylpropyl)naphthalen-1-amine
SMILESCc1cnc(-c2cc(-c3ccccc3)cc(N(c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)c(C)cn4)c3)c3ccc(CC(C)C)c4ccccc34)c2)cc1-c1ccccc1
InChIInChI=1S/C62H51N3/c1-42(2)31-49-29-30-62(57-28-18-17-27-56(49)57)65(54-34-50(45-19-9-5-10-20-45)32-52(36-54)60-38-58(43(3)40-63-60)47-23-13-7-14-24-47)55-35-51(46-21-11-6-12-22-46)33-53(37-55)61-39-59(44(4)41-64-61)48-25-15-8-16-26-48/h5-30,32-42H,31H2,1-4H3
InChIKeyGBWIHJHHGHNIJK-UHFFFAOYSA-N
MW838.11 g/mol
LogP16.92
Rot. Bonds11

About N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-4-(2-methylpropyl)naphthalen-1-amine

N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-4-(2-methylpropyl)naphthalen-1-amine (PubChem CID 140908600) has the molecular formula C62H51N3 and a molecular weight of 838.11 g/mol. Its IUPAC name is N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-4-(2-methylpropyl)naphthalen-1-amine.

Molecular Properties

Compound NameN,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-4-(2-methylpropyl)naphthalen-1-amine
PubChem CID140908600
Molecular FormulaC62H51N3
Molecular Weight838.11 g/mol
Exact Mass837.41
IUPAC NameN,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-4-(2-methylpropyl)naphthalen-1-amine
SMILESCc1cnc(-c2cc(-c3ccccc3)cc(N(c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)c(C)cn4)c3)c3ccc(CC(C)C)c4ccccc34)c2)cc1-c1ccccc1
InChIInChI=1S/C62H51N3/c1-42(2)31-49-29-30-62(57-28-18-17-27-56(49)57)65(54-34-50(45-19-9-5-10-20-45)32-52(36-54)60-38-58(43(3)40-63-60)47-23-13-7-14-24-47)55-35-51(46-21-11-6-12-22-46)33-53(37-55)61-39-59(44(4)41-64-61)48-25-15-8-16-26-48/h5-30,32-42H,31H2,1-4H3
InChIKeyGBWIHJHHGHNIJK-UHFFFAOYSA-N
XLogP16.92
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.11
LogP ≤ 516.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-N-(3-phenyl-5-pyridin-2-ylphenyl)naphthalen-1-amine
CID 140908634
4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-(2-methylpropyl)phenyl]aniline
CID 140908719
N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenyl-N-(2-phenylphenyl)-5-pyridin-2-ylaniline
CID 140908798
5-methyl-4-phenyl-2-(3-phenylphenyl)pyridine
CID 140676048
N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]naphthalen-1-amine
CID 140908506
N-(4-carbazol-9-ylphenyl)-3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-N-(3-pyridin-2-ylphenyl)aniline
CID 140908469
N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]aniline
CID 140908668
4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine
CID 140908500
4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]aniline
CID 140908638
N,N-bis[3-(3,5-dimethylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2,4-dimethylpyridin-3-amine
CID 140908717
N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)-5-phenylphenyl]-2,4-dimethylpyridin-3-amine
CID 140881794
N-[3-(3,5-diphenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 166974675

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-4-(2-methylpropyl)naphthalen-1-amine?
The IUPAC name of N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-4-(2-methylpropyl)naphthalen-1-amine (CID 140908600) is N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-4-(2-methylpropyl)naphthalen-1-amine.
What is the SMILES notation for N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-4-(2-methylpropyl)naphthalen-1-amine?
The canonical SMILES for N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-4-(2-methylpropyl)naphthalen-1-amine is Cc1cnc(-c2cc(-c3ccccc3)cc(N(c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)c(C)cn4)c3)c3ccc(CC(C)C)c4ccccc34)c2)cc1-c1ccccc1.
What is the InChIKey of N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-4-(2-methylpropyl)naphthalen-1-amine?
The InChIKey is GBWIHJHHGHNIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H51N3/c1-42(2)31-49-29-30-62(57-28-18-17-27-56(49)57)65(54-34-50(45-19-9-5-10-20-45)32-52(36-54)60-38-58(43(3)40-63-60)47-23-13-7-14-24-47)55-35-51(46-21-11-6-12-22-46)33-53(37-55)61-39-59(44(4)41-64-61)48-25-15-8-16-26-48/h5-30,32-42H,31H2,1-4H3.
What are the key properties of N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-4-(2-methylpropyl)naphthalen-1-amine?
N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-4-(2-methylpropyl)naphthalen-1-amine has a molecular weight of 838.11 g/mol, XLogP of 16.92, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-4-(2-methylpropyl)naphthalen-1-amine is sourced from PubChem (CID 140908600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).