1-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine

C49H50N2 — CID 130269956

IUPAC1-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
SMILESCCC(C)(CC)c1ccc(C(CC)(CC)N(c2ccccc2)c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C49H50N2/c1-6-48(5,7-2)41-25-27-42(28-26-41)49(8-3,9-4)51(44-21-11-10-12-22-44)45-33-31-43(32-34-45)50(46-29-23-37-17-13-15-19-39(37)35-46)47-30-24-38-18-14-16-20-40(38)36-47/h10-36H,6-9H2,1-5H3
InChIKeyGJNZJQDMYFVIKF-UHFFFAOYSA-N
MW666.95 g/mol
LogP14.39
Rot. Bonds12

About 1-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine

1-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine (PubChem CID 130269956) has the molecular formula C49H50N2 and a molecular weight of 666.95 g/mol. Its IUPAC name is 1-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
PubChem CID130269956
Molecular FormulaC49H50N2
Molecular Weight666.95 g/mol
Exact Mass666.40
IUPAC Name1-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
SMILESCCC(C)(CC)c1ccc(C(CC)(CC)N(c2ccccc2)c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C49H50N2/c1-6-48(5,7-2)41-25-27-42(28-26-41)49(8-3,9-4)51(44-21-11-10-12-22-44)45-33-31-43(32-34-45)50(46-29-23-37-17-13-15-19-39(37)35-46)47-30-24-38-18-14-16-20-40(38)36-47/h10-36H,6-9H2,1-5H3
InChIKeyGJNZJQDMYFVIKF-UHFFFAOYSA-N
XLogP14.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.95
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine with MolForge

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Related Compounds

4-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 130270116
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4-N-naphthalen-1-yl-1-N,1-N-dinaphthalen-2-yl-4-N-(2-phenylpropan-2-yl)benzene-1,4-diamine
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N-(4-ethylphenyl)-N-phenylnaphthalen-2-amine
CID 15445670
9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-dinaphthalen-2-ylanthracene-9,10-diamine
CID 59133433
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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
N-(4-methylsulfanylphenyl)-N-phenylnaphthalen-2-amine
CID 70891422
[4-[1,1-bis[4-[4-(N-naphthalen-2-ylanilino)benzoyl]oxyphenyl]propyl]phenyl] 4-(N-naphthalen-2-ylanilino)benzoate
CID 139957847
N-[4-[2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91122329
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Frequently Asked Questions

What is the IUPAC name of 1-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 1-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine (CID 130269956) is 1-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine is CCC(C)(CC)c1ccc(C(CC)(CC)N(c2ccccc2)c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 1-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine?
The InChIKey is GJNZJQDMYFVIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H50N2/c1-6-48(5,7-2)41-25-27-42(28-26-41)49(8-3,9-4)51(44-21-11-10-12-22-44)45-33-31-43(32-34-45)50(46-29-23-37-17-13-15-19-39(37)35-46)47-30-24-38-18-14-16-20-40(38)36-47/h10-36H,6-9H2,1-5H3.
What are the key properties of 1-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine?
1-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine has a molecular weight of 666.95 g/mol, XLogP of 14.39, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 130269956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).