4-N-[2-(4-tert-butylphenyl)propan-2-yl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine

C45H42N2 — CID 137397880

IUPAC4-N-[2-(4-tert-butylphenyl)propan-2-yl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine
SMILESCC(C)(C)c1ccc(C(C)(C)N(c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C45H42N2/c1-44(2,3)35-25-27-36(28-26-35)45(4,5)47(43-24-14-18-34-16-10-12-22-41(34)43)39-31-29-38(30-32-39)46(37-19-7-6-8-20-37)42-23-13-17-33-15-9-11-21-40(33)42/h6-32H,1-5H3
InChIKeyVLIGEASHSHQDQZ-UHFFFAOYSA-N
MW610.85 g/mol
LogP12.83
Rot. Bonds7

About 4-N-[2-(4-tert-butylphenyl)propan-2-yl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine

4-N-[2-(4-tert-butylphenyl)propan-2-yl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine (PubChem CID 137397880) has the molecular formula C45H42N2 and a molecular weight of 610.85 g/mol. Its IUPAC name is 4-N-[2-(4-tert-butylphenyl)propan-2-yl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(4-tert-butylphenyl)propan-2-yl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine
PubChem CID137397880
Molecular FormulaC45H42N2
Molecular Weight610.85 g/mol
Exact Mass610.33
IUPAC Name4-N-[2-(4-tert-butylphenyl)propan-2-yl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine
SMILESCC(C)(C)c1ccc(C(C)(C)N(c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C45H42N2/c1-44(2,3)35-25-27-36(28-26-35)45(4,5)47(43-24-14-18-34-16-10-12-22-41(34)43)39-31-29-38(30-32-39)46(37-19-7-6-8-20-37)42-23-13-17-33-15-9-11-21-40(33)42/h6-32H,1-5H3
InChIKeyVLIGEASHSHQDQZ-UHFFFAOYSA-N
XLogP12.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.85
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[4-[N-(4-tert-butylphenyl)-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[4-[N-naphthalen-1-yl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 159251897
N-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 89067517
4-N-naphthalen-1-yl-1-N,1-N-dinaphthalen-2-yl-4-N-(2-phenylpropan-2-yl)benzene-1,4-diamine
CID 155337035
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
N,N-diphenylnaphthalen-1-amine
CID 11392281
N-[4-[4-[(E)-2-[4-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(4-tert-butylphenyl)naphthalen-1-amine
CID 89068086
N-[4-[2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91122329
16-(4-tert-butylphenyl)-N-naphthalen-1-yl-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032492
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

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-tert-butylphenyl)propan-2-yl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-[2-(4-tert-butylphenyl)propan-2-yl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine (CID 137397880) is 4-N-[2-(4-tert-butylphenyl)propan-2-yl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[2-(4-tert-butylphenyl)propan-2-yl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[2-(4-tert-butylphenyl)propan-2-yl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine is CC(C)(C)c1ccc(C(C)(C)N(c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of 4-N-[2-(4-tert-butylphenyl)propan-2-yl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine?
The InChIKey is VLIGEASHSHQDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H42N2/c1-44(2,3)35-25-27-36(28-26-35)45(4,5)47(43-24-14-18-34-16-10-12-22-41(34)43)39-31-29-38(30-32-39)46(37-19-7-6-8-20-37)42-23-13-17-33-15-9-11-21-40(33)42/h6-32H,1-5H3.
What are the key properties of 4-N-[2-(4-tert-butylphenyl)propan-2-yl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine?
4-N-[2-(4-tert-butylphenyl)propan-2-yl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine has a molecular weight of 610.85 g/mol, XLogP of 12.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-tert-butylphenyl)propan-2-yl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 137397880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).