1-N,5-N-bis(4-butan-2-ylphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine

C54H50N2 — CID 58426696

IUPAC1-N,5-N-bis(4-butan-2-ylphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine
SMILESCCC(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c(N(c4ccc(-c5ccccc5)cc4)c4ccc(C(C)CC)cc4)cccc23)cc1
InChIInChI=1S/C54H50N2/c1-5-39(3)41-23-31-47(32-24-41)55(49-35-27-45(28-36-49)43-15-9-7-10-16-43)53-21-13-20-52-51(53)19-14-22-54(52)56(48-33-25-42(26-34-48)40(4)6-2)50-37-29-46(30-38-50)44-17-11-8-12-18-44/h7-40H,5-6H2,1-4H3
InChIKeyQPTTZOYXCOKCRM-UHFFFAOYSA-N
MW727.01 g/mol
LogP16.14
Rot. Bonds12

About 1-N,5-N-bis(4-butan-2-ylphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine

1-N,5-N-bis(4-butan-2-ylphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine (PubChem CID 58426696) has the molecular formula C54H50N2 and a molecular weight of 727.01 g/mol. Its IUPAC name is 1-N,5-N-bis(4-butan-2-ylphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine.

Molecular Properties

Compound Name1-N,5-N-bis(4-butan-2-ylphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine
PubChem CID58426696
Molecular FormulaC54H50N2
Molecular Weight727.01 g/mol
Exact Mass726.40
IUPAC Name1-N,5-N-bis(4-butan-2-ylphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine
SMILESCCC(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c(N(c4ccc(-c5ccccc5)cc4)c4ccc(C(C)CC)cc4)cccc23)cc1
InChIInChI=1S/C54H50N2/c1-5-39(3)41-23-31-47(32-24-41)55(49-35-27-45(28-36-49)43-15-9-7-10-16-43)53-21-13-20-52-51(53)19-14-22-54(52)56(48-33-25-42(26-34-48)40(4)6-2)50-37-29-46(30-38-50)44-17-11-8-12-18-44/h7-40H,5-6H2,1-4H3
InChIKeyQPTTZOYXCOKCRM-UHFFFAOYSA-N
XLogP16.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.01
LogP ≤ 516.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-butan-2-ylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 90967066
N-[4-[4-[N-(4-butan-2-ylphenyl)-4-[3-[4-[N-(4-butan-2-ylphenyl)-4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59566466
3-N-(4-butan-2-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59747058
N-[4-[4-(N-naphthalen-1-yl-4-propan-2-ylanilino)phenyl]phenyl]-N-(4-propan-2-ylphenyl)naphthalen-1-amine
CID 66791153
9-(4-butan-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 58602181
N-(4-butan-2-ylphenyl)-N-[4-(3-methylpentan-3-yl)phenyl]naphthalen-1-amine
CID 70901590
2-butan-2-yl-N-[4-[4-(N-(2-butan-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 18977846
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
N-phenyl-N-[4-[4-(4-phenyl-N-[4-[4-[4-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 134455282
N-[4-[4-[N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-[4-[4-(N-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 155471012

Frequently Asked Questions

What is the IUPAC name of 1-N,5-N-bis(4-butan-2-ylphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine?
The IUPAC name of 1-N,5-N-bis(4-butan-2-ylphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine (CID 58426696) is 1-N,5-N-bis(4-butan-2-ylphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine.
What is the SMILES notation for 1-N,5-N-bis(4-butan-2-ylphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine?
The canonical SMILES for 1-N,5-N-bis(4-butan-2-ylphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine is CCC(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c(N(c4ccc(-c5ccccc5)cc4)c4ccc(C(C)CC)cc4)cccc23)cc1.
What is the InChIKey of 1-N,5-N-bis(4-butan-2-ylphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine?
The InChIKey is QPTTZOYXCOKCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H50N2/c1-5-39(3)41-23-31-47(32-24-41)55(49-35-27-45(28-36-49)43-15-9-7-10-16-43)53-21-13-20-52-51(53)19-14-22-54(52)56(48-33-25-42(26-34-48)40(4)6-2)50-37-29-46(30-38-50)44-17-11-8-12-18-44/h7-40H,5-6H2,1-4H3.
What are the key properties of 1-N,5-N-bis(4-butan-2-ylphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine?
1-N,5-N-bis(4-butan-2-ylphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine has a molecular weight of 727.01 g/mol, XLogP of 16.14, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,5-N-bis(4-butan-2-ylphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine is sourced from PubChem (CID 58426696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).