5-tert-butyl-1-N,1-N,3-N-tris(4-tert-butylphenyl)-3-N-naphthalen-2-yl-2-(3-phenylphenyl)benzene-1,3-diamine

C62H66N2 — CID 156546870

IUPAC5-tert-butyl-1-N,1-N,3-N-tris(4-tert-butylphenyl)-3-N-naphthalen-2-yl-2-(3-phenylphenyl)benzene-1,3-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc(C(C)(C)C)cc(N(c3ccc(C(C)(C)C)cc3)c3ccc4ccccc4c3)c2-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C62H66N2/c1-59(2,3)48-26-33-52(34-27-48)63(53-35-28-49(29-36-53)60(4,5)6)56-41-51(62(10,11)12)42-57(58(56)47-24-18-23-45(39-47)43-19-14-13-15-20-43)64(54-37-30-50(31-38-54)61(7,8)9)55-32-25-44-21-16-17-22-46(44)40-55/h13-42H,1-12H3
InChIKeyDYZZZAMHFSKXNF-UHFFFAOYSA-N
MW839.22 g/mol
LogP18.30
Rot. Bonds8

About 5-tert-butyl-1-N,1-N,3-N-tris(4-tert-butylphenyl)-3-N-naphthalen-2-yl-2-(3-phenylphenyl)benzene-1,3-diamine

5-tert-butyl-1-N,1-N,3-N-tris(4-tert-butylphenyl)-3-N-naphthalen-2-yl-2-(3-phenylphenyl)benzene-1,3-diamine (PubChem CID 156546870) has the molecular formula C62H66N2 and a molecular weight of 839.22 g/mol. Its IUPAC name is 5-tert-butyl-1-N,1-N,3-N-tris(4-tert-butylphenyl)-3-N-naphthalen-2-yl-2-(3-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-tert-butyl-1-N,1-N,3-N-tris(4-tert-butylphenyl)-3-N-naphthalen-2-yl-2-(3-phenylphenyl)benzene-1,3-diamine
PubChem CID156546870
Molecular FormulaC62H66N2
Molecular Weight839.22 g/mol
Exact Mass838.52
IUPAC Name5-tert-butyl-1-N,1-N,3-N-tris(4-tert-butylphenyl)-3-N-naphthalen-2-yl-2-(3-phenylphenyl)benzene-1,3-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc(C(C)(C)C)cc(N(c3ccc(C(C)(C)C)cc3)c3ccc4ccccc4c3)c2-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C62H66N2/c1-59(2,3)48-26-33-52(34-27-48)63(53-35-28-49(29-36-53)60(4,5)6)56-41-51(62(10,11)12)42-57(58(56)47-24-18-23-45(39-47)43-19-14-13-15-20-43)64(54-37-30-50(31-38-54)61(7,8)9)55-32-25-44-21-16-17-22-46(44)40-55/h13-42H,1-12H3
InChIKeyDYZZZAMHFSKXNF-UHFFFAOYSA-N
XLogP18.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.22
LogP ≤ 518.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-1-N,3-N,3-N-tris(4-tert-butylphenyl)-2-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 156546852
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
16-(4-tert-butylphenyl)-N-phenyl-N-(2-phenylphenyl)pentacyclo[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 166032691
N-(4-tert-butylphenyl)-2,3-dinaphthalen-2-yl-N-phenylaniline
CID 177097061
N-[4-[3-[3-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 121286442
N-(5-tert-butyl-2-methylphenyl)-17-phenyl-N-(3-phenylphenyl)pentacyclo[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 166033300
N-(2-tert-butylphenyl)-16-(4-tert-butylphenyl)-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 166033406
2',7'-ditert-butyl-7-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 166566242
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-(4-methylphenyl)-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 166032395
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
N-[4-[(E)-2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 89067707

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-N,1-N,3-N-tris(4-tert-butylphenyl)-3-N-naphthalen-2-yl-2-(3-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 5-tert-butyl-1-N,1-N,3-N-tris(4-tert-butylphenyl)-3-N-naphthalen-2-yl-2-(3-phenylphenyl)benzene-1,3-diamine (CID 156546870) is 5-tert-butyl-1-N,1-N,3-N-tris(4-tert-butylphenyl)-3-N-naphthalen-2-yl-2-(3-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 5-tert-butyl-1-N,1-N,3-N-tris(4-tert-butylphenyl)-3-N-naphthalen-2-yl-2-(3-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 5-tert-butyl-1-N,1-N,3-N-tris(4-tert-butylphenyl)-3-N-naphthalen-2-yl-2-(3-phenylphenyl)benzene-1,3-diamine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc(C(C)(C)C)cc(N(c3ccc(C(C)(C)C)cc3)c3ccc4ccccc4c3)c2-c2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of 5-tert-butyl-1-N,1-N,3-N-tris(4-tert-butylphenyl)-3-N-naphthalen-2-yl-2-(3-phenylphenyl)benzene-1,3-diamine?
The InChIKey is DYZZZAMHFSKXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H66N2/c1-59(2,3)48-26-33-52(34-27-48)63(53-35-28-49(29-36-53)60(4,5)6)56-41-51(62(10,11)12)42-57(58(56)47-24-18-23-45(39-47)43-19-14-13-15-20-43)64(54-37-30-50(31-38-54)61(7,8)9)55-32-25-44-21-16-17-22-46(44)40-55/h13-42H,1-12H3.
What are the key properties of 5-tert-butyl-1-N,1-N,3-N-tris(4-tert-butylphenyl)-3-N-naphthalen-2-yl-2-(3-phenylphenyl)benzene-1,3-diamine?
5-tert-butyl-1-N,1-N,3-N-tris(4-tert-butylphenyl)-3-N-naphthalen-2-yl-2-(3-phenylphenyl)benzene-1,3-diamine has a molecular weight of 839.22 g/mol, XLogP of 18.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-N,1-N,3-N-tris(4-tert-butylphenyl)-3-N-naphthalen-2-yl-2-(3-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 156546870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).