1-N-(2,3-dihydronaphthalen-1-yl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-(2-phenylpropan-2-yl)cyclohexa-1,5-diene-1,4-diamine

C45H40N2 — CID 134173109

IUPAC1-N-(2,3-dihydronaphthalen-1-yl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-(2-phenylpropan-2-yl)cyclohexa-1,5-diene-1,4-diamine
SMILESCC(C)(c1ccccc1)N(C1=CCC(N(c2ccc3ccccc3c2)c2cccc3ccccc23)C=C1)C1=c2ccccc2=CCC1
InChIInChI=1S/C45H40N2/c1-45(2,37-20-4-3-5-21-37)47(44-25-13-19-35-16-9-11-23-42(35)44)39-30-28-38(29-31-39)46(40-27-26-33-14-6-7-17-36(33)32-40)43-24-12-18-34-15-8-10-22-41(34)43/h3-12,14-24,26-28,30-32,38H,13,25,29H2,1-2H3
InChIKeyVYZYPNRMBRLZRK-UHFFFAOYSA-N
MW608.83 g/mol
LogP9.96
Rot. Bonds7

About 1-N-(2,3-dihydronaphthalen-1-yl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-(2-phenylpropan-2-yl)cyclohexa-1,5-diene-1,4-diamine

1-N-(2,3-dihydronaphthalen-1-yl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-(2-phenylpropan-2-yl)cyclohexa-1,5-diene-1,4-diamine (PubChem CID 134173109) has the molecular formula C45H40N2 and a molecular weight of 608.83 g/mol. Its IUPAC name is 1-N-(2,3-dihydronaphthalen-1-yl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-(2-phenylpropan-2-yl)cyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2,3-dihydronaphthalen-1-yl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-(2-phenylpropan-2-yl)cyclohexa-1,5-diene-1,4-diamine
PubChem CID134173109
Molecular FormulaC45H40N2
Molecular Weight608.83 g/mol
Exact Mass608.32
IUPAC Name1-N-(2,3-dihydronaphthalen-1-yl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-(2-phenylpropan-2-yl)cyclohexa-1,5-diene-1,4-diamine
SMILESCC(C)(c1ccccc1)N(C1=CCC(N(c2ccc3ccccc3c2)c2cccc3ccccc23)C=C1)C1=c2ccccc2=CCC1
InChIInChI=1S/C45H40N2/c1-45(2,37-20-4-3-5-21-37)47(44-25-13-19-35-16-9-11-23-42(35)44)39-30-28-38(29-31-39)46(40-27-26-33-14-6-7-17-36(33)32-40)43-24-12-18-34-15-8-10-22-41(34)43/h3-12,14-24,26-28,30-32,38H,13,25,29H2,1-2H3
InChIKeyVYZYPNRMBRLZRK-UHFFFAOYSA-N
XLogP9.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.83
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-naphthalen-1-yl-1-N,1-N-dinaphthalen-2-yl-4-N-(2-phenylpropan-2-yl)benzene-1,4-diamine
CID 155337035
N-[4-[4-(N-naphthalen-1-ylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-phenylnaphthalen-1-amine
CID 123939537
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylcyclohexa-2,4-dien-1-yl)naphthalen-1-amine
CID 135299557
N-(4-fluoranthen-3-ylcyclohexa-2,4-dien-1-yl)-N-naphthalen-1-ylpyridin-4-amine
CID 166714044
4-N-[2-(4-tert-butylphenyl)propan-2-yl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine
CID 137397880
naphthalene;2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine
CID 161142905
1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
CID 118686066
N-[4-[2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91122329
N-[4-[(E)-2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 89067707
2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine
CID 159424391
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 58598982
N,N-diphenylaniline;N,N-diphenylnaphthalen-1-amine;N,N-diphenylnaphthalen-2-amine;ethane;N-naphthalen-1-yl-N-phenylnaphthalen-1-amine;N-naphthalen-1-yl-N-phenylnaphthalen-2-amine;N-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 161430896

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,3-dihydronaphthalen-1-yl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-(2-phenylpropan-2-yl)cyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 1-N-(2,3-dihydronaphthalen-1-yl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-(2-phenylpropan-2-yl)cyclohexa-1,5-diene-1,4-diamine (CID 134173109) is 1-N-(2,3-dihydronaphthalen-1-yl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-(2-phenylpropan-2-yl)cyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 1-N-(2,3-dihydronaphthalen-1-yl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-(2-phenylpropan-2-yl)cyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 1-N-(2,3-dihydronaphthalen-1-yl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-(2-phenylpropan-2-yl)cyclohexa-1,5-diene-1,4-diamine is CC(C)(c1ccccc1)N(C1=CCC(N(c2ccc3ccccc3c2)c2cccc3ccccc23)C=C1)C1=c2ccccc2=CCC1.
What is the InChIKey of 1-N-(2,3-dihydronaphthalen-1-yl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-(2-phenylpropan-2-yl)cyclohexa-1,5-diene-1,4-diamine?
The InChIKey is VYZYPNRMBRLZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H40N2/c1-45(2,37-20-4-3-5-21-37)47(44-25-13-19-35-16-9-11-23-42(35)44)39-30-28-38(29-31-39)46(40-27-26-33-14-6-7-17-36(33)32-40)43-24-12-18-34-15-8-10-22-41(34)43/h3-12,14-24,26-28,30-32,38H,13,25,29H2,1-2H3.
What are the key properties of 1-N-(2,3-dihydronaphthalen-1-yl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-(2-phenylpropan-2-yl)cyclohexa-1,5-diene-1,4-diamine?
1-N-(2,3-dihydronaphthalen-1-yl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-(2-phenylpropan-2-yl)cyclohexa-1,5-diene-1,4-diamine has a molecular weight of 608.83 g/mol, XLogP of 9.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,3-dihydronaphthalen-1-yl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-(2-phenylpropan-2-yl)cyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 134173109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).