N-[4-[4-[4-[4-(4-bromo-N-(3-chlorophenyl)anilino)phenyl]-N-(3-chlorophenyl)anilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine

C59H42BrCl2N3 — CID 23594463

IUPACN-[4-[4-[4-[4-(4-bromo-N-(3-chlorophenyl)anilino)phenyl]-N-(3-chlorophenyl)anilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine
SMILESCc1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(Br)cc6)c6cccc(Cl)c6)cc5)cc4)c4cccc(Cl)c4)cc3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C59H42BrCl2N3/c1-41-12-25-51(26-13-41)65(59-35-22-42-6-2-3-7-47(42)38-59)55-33-20-46(21-34-55)44-16-29-53(30-17-44)63(57-10-4-8-49(61)39-57)52-27-14-43(15-28-52)45-18-31-54(32-19-45)64(56-36-23-48(60)24-37-56)58-11-5-9-50(62)40-58/h2-40H,1H3
InChIKeyHMXARVQYKYUQHT-UHFFFAOYSA-N
MW943.82 g/mol
LogP18.96
Rot. Bonds11

About N-[4-[4-[4-[4-(4-bromo-N-(3-chlorophenyl)anilino)phenyl]-N-(3-chlorophenyl)anilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine

N-[4-[4-[4-[4-(4-bromo-N-(3-chlorophenyl)anilino)phenyl]-N-(3-chlorophenyl)anilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine (PubChem CID 23594463) has the molecular formula C59H42BrCl2N3 and a molecular weight of 943.82 g/mol. Its IUPAC name is N-[4-[4-[4-[4-(4-bromo-N-(3-chlorophenyl)anilino)phenyl]-N-(3-chlorophenyl)anilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[4-[4-[4-(4-bromo-N-(3-chlorophenyl)anilino)phenyl]-N-(3-chlorophenyl)anilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine
PubChem CID23594463
Molecular FormulaC59H42BrCl2N3
Molecular Weight943.82 g/mol
Exact Mass941.19
IUPAC NameN-[4-[4-[4-[4-(4-bromo-N-(3-chlorophenyl)anilino)phenyl]-N-(3-chlorophenyl)anilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine
SMILESCc1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(Br)cc6)c6cccc(Cl)c6)cc5)cc4)c4cccc(Cl)c4)cc3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C59H42BrCl2N3/c1-41-12-25-51(26-13-41)65(59-35-22-42-6-2-3-7-47(42)38-59)55-33-20-46(21-34-55)44-16-29-53(30-17-44)63(57-10-4-8-49(61)39-57)52-27-14-43(15-28-52)45-18-31-54(32-19-45)64(56-36-23-48(60)24-37-56)58-11-5-9-50(62)40-58/h2-40H,1H3
InChIKeyHMXARVQYKYUQHT-UHFFFAOYSA-N
XLogP18.96
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.82
LogP ≤ 518.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334
N-[4-(3-chlorophenyl)phenyl]-N-phenylnaphthalen-2-amine
CID 170223458
N-[4-(4-methylphenyl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine;1,3-xylene
CID 143269183
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
1-N-[4-(4-methylphenyl)phenyl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-[4-(4-methylphenyl)phenyl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;4-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine;1-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
CID 157265115
N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine;N-(4-methylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;N-(4-methylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 161406652
1-N-[4-(4-methylphenyl)phenyl]-1-N,4-N-dinaphthalen-1-yl-4-N-naphthalen-2-ylbenzene-1,4-diamine;1-N-[4-(4-methylphenyl)phenyl]-1-N-naphthalen-1-yl-4-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine;4-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-2-yl-1-N,1-N-diphenylbenzene-1,4-diamine;1-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine;1-N-[4-(4-methylphenyl)phenyl]-1-N,4-N,4-N-trinaphthalen-1-ylbenzene-1,4-diamine
CID 158255176
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
N-[4-(4-methylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 145442294
N-[4-[3-[3-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 121286442
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 161230794

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-[4-(4-bromo-N-(3-chlorophenyl)anilino)phenyl]-N-(3-chlorophenyl)anilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-[4-[4-[4-(4-bromo-N-(3-chlorophenyl)anilino)phenyl]-N-(3-chlorophenyl)anilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine (CID 23594463) is N-[4-[4-[4-[4-(4-bromo-N-(3-chlorophenyl)anilino)phenyl]-N-(3-chlorophenyl)anilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-[4-[4-[4-(4-bromo-N-(3-chlorophenyl)anilino)phenyl]-N-(3-chlorophenyl)anilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-[4-[4-[4-(4-bromo-N-(3-chlorophenyl)anilino)phenyl]-N-(3-chlorophenyl)anilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine is Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(Br)cc6)c6cccc(Cl)c6)cc5)cc4)c4cccc(Cl)c4)cc3)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-[4-[4-[4-(4-bromo-N-(3-chlorophenyl)anilino)phenyl]-N-(3-chlorophenyl)anilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine?
The InChIKey is HMXARVQYKYUQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42BrCl2N3/c1-41-12-25-51(26-13-41)65(59-35-22-42-6-2-3-7-47(42)38-59)55-33-20-46(21-34-55)44-16-29-53(30-17-44)63(57-10-4-8-49(61)39-57)52-27-14-43(15-28-52)45-18-31-54(32-19-45)64(56-36-23-48(60)24-37-56)58-11-5-9-50(62)40-58/h2-40H,1H3.
What are the key properties of N-[4-[4-[4-[4-(4-bromo-N-(3-chlorophenyl)anilino)phenyl]-N-(3-chlorophenyl)anilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine?
N-[4-[4-[4-[4-(4-bromo-N-(3-chlorophenyl)anilino)phenyl]-N-(3-chlorophenyl)anilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine has a molecular weight of 943.82 g/mol, XLogP of 18.96, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-[4-(4-bromo-N-(3-chlorophenyl)anilino)phenyl]-N-(3-chlorophenyl)anilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine is sourced from PubChem (CID 23594463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).