4-cyclohexa-1,3-dien-1-yl-2-N,2-N,6-N,6-N-tetrakis(3,4-diethylphenyl)-8-phenylnaphthalene-2,6-diamine

C62H68N2 — CID 143938222

IUPAC4-cyclohexa-1,3-dien-1-yl-2-N,2-N,6-N,6-N-tetrakis(3,4-diethylphenyl)-8-phenylnaphthalene-2,6-diamine
SMILESCCc1ccc(N(c2ccc(CC)c(CC)c2)c2cc(-c3ccccc3)c3cc(N(c4ccc(CC)c(CC)c4)c4ccc(CC)c(CC)c4)cc(C4=CC=CCC4)c3c2)cc1CC
InChIInChI=1S/C62H68N2/c1-9-43-27-31-53(35-47(43)13-5)63(54-32-28-44(10-2)48(14-6)36-54)57-39-59(51-23-19-17-20-24-51)62-42-58(40-60(61(62)41-57)52-25-21-18-22-26-52)64(55-33-29-45(11-3)49(15-7)37-55)56-34-30-46(12-4)50(16-8)38-56/h17-21,23-25,27-42H,9-16,22,26H2,1-8H3
InChIKeyLRDPAGNXAJNIBF-UHFFFAOYSA-N
MW841.24 g/mol
LogP17.68
Rot. Bonds16

About 4-cyclohexa-1,3-dien-1-yl-2-N,2-N,6-N,6-N-tetrakis(3,4-diethylphenyl)-8-phenylnaphthalene-2,6-diamine

4-cyclohexa-1,3-dien-1-yl-2-N,2-N,6-N,6-N-tetrakis(3,4-diethylphenyl)-8-phenylnaphthalene-2,6-diamine (PubChem CID 143938222) has the molecular formula C62H68N2 and a molecular weight of 841.24 g/mol. Its IUPAC name is 4-cyclohexa-1,3-dien-1-yl-2-N,2-N,6-N,6-N-tetrakis(3,4-diethylphenyl)-8-phenylnaphthalene-2,6-diamine.

Molecular Properties

Compound Name4-cyclohexa-1,3-dien-1-yl-2-N,2-N,6-N,6-N-tetrakis(3,4-diethylphenyl)-8-phenylnaphthalene-2,6-diamine
PubChem CID143938222
Molecular FormulaC62H68N2
Molecular Weight841.24 g/mol
Exact Mass840.54
IUPAC Name4-cyclohexa-1,3-dien-1-yl-2-N,2-N,6-N,6-N-tetrakis(3,4-diethylphenyl)-8-phenylnaphthalene-2,6-diamine
SMILESCCc1ccc(N(c2ccc(CC)c(CC)c2)c2cc(-c3ccccc3)c3cc(N(c4ccc(CC)c(CC)c4)c4ccc(CC)c(CC)c4)cc(C4=CC=CCC4)c3c2)cc1CC
InChIInChI=1S/C62H68N2/c1-9-43-27-31-53(35-47(43)13-5)63(54-32-28-44(10-2)48(14-6)36-54)57-39-59(51-23-19-17-20-24-51)62-42-58(40-60(61(62)41-57)52-25-21-18-22-26-52)64(55-33-29-45(11-3)49(15-7)37-55)56-34-30-46(12-4)50(16-8)38-56/h17-21,23-25,27-42H,9-16,22,26H2,1-8H3
InChIKeyLRDPAGNXAJNIBF-UHFFFAOYSA-N
XLogP17.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.24
LogP ≤ 517.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[4-[4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 145063466
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 143269273
N-(4-chrysen-3-yl-3-cyclohexa-1,3-dien-1-ylphenyl)-N-(3-phenylphenyl)phenanthren-3-amine
CID 170140982
4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 154935369
9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 59766421
4-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-1-N-methyl-4-N-(4-phenylnaphthalen-1-yl)benzene-1,4-diamine;ethane;1-ethyl-2-methylbenzene
CID 142473999
N-(2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167235034
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-3-dibenzothiophen-2-yl-N-(3-dibenzothiophen-2-ylphenyl)aniline
CID 154955078
2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167235532
4-cyclohexa-1,3-dien-1-yl-N-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 118402803
8-cyclohexa-1,3-dien-1-yl-N,N-dinaphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-5-phenyltriphenylen-2-amine
CID 89083816
7-bromo-N-(2-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 144768218

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,3-dien-1-yl-2-N,2-N,6-N,6-N-tetrakis(3,4-diethylphenyl)-8-phenylnaphthalene-2,6-diamine?
The IUPAC name of 4-cyclohexa-1,3-dien-1-yl-2-N,2-N,6-N,6-N-tetrakis(3,4-diethylphenyl)-8-phenylnaphthalene-2,6-diamine (CID 143938222) is 4-cyclohexa-1,3-dien-1-yl-2-N,2-N,6-N,6-N-tetrakis(3,4-diethylphenyl)-8-phenylnaphthalene-2,6-diamine.
What is the SMILES notation for 4-cyclohexa-1,3-dien-1-yl-2-N,2-N,6-N,6-N-tetrakis(3,4-diethylphenyl)-8-phenylnaphthalene-2,6-diamine?
The canonical SMILES for 4-cyclohexa-1,3-dien-1-yl-2-N,2-N,6-N,6-N-tetrakis(3,4-diethylphenyl)-8-phenylnaphthalene-2,6-diamine is CCc1ccc(N(c2ccc(CC)c(CC)c2)c2cc(-c3ccccc3)c3cc(N(c4ccc(CC)c(CC)c4)c4ccc(CC)c(CC)c4)cc(C4=CC=CCC4)c3c2)cc1CC.
What is the InChIKey of 4-cyclohexa-1,3-dien-1-yl-2-N,2-N,6-N,6-N-tetrakis(3,4-diethylphenyl)-8-phenylnaphthalene-2,6-diamine?
The InChIKey is LRDPAGNXAJNIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H68N2/c1-9-43-27-31-53(35-47(43)13-5)63(54-32-28-44(10-2)48(14-6)36-54)57-39-59(51-23-19-17-20-24-51)62-42-58(40-60(61(62)41-57)52-25-21-18-22-26-52)64(55-33-29-45(11-3)49(15-7)37-55)56-34-30-46(12-4)50(16-8)38-56/h17-21,23-25,27-42H,9-16,22,26H2,1-8H3.
What are the key properties of 4-cyclohexa-1,3-dien-1-yl-2-N,2-N,6-N,6-N-tetrakis(3,4-diethylphenyl)-8-phenylnaphthalene-2,6-diamine?
4-cyclohexa-1,3-dien-1-yl-2-N,2-N,6-N,6-N-tetrakis(3,4-diethylphenyl)-8-phenylnaphthalene-2,6-diamine has a molecular weight of 841.24 g/mol, XLogP of 17.68, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,3-dien-1-yl-2-N,2-N,6-N,6-N-tetrakis(3,4-diethylphenyl)-8-phenylnaphthalene-2,6-diamine is sourced from PubChem (CID 143938222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).