1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine

C48H38N2O2 — CID 101381671

IUPAC1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine
SMILESCOc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c(N(c4ccc(OC)cc4)c4ccc(-c5ccccc5)cc4)cccc23)cc1
InChIInChI=1S/C48H38N2O2/c1-51-43-31-27-41(28-32-43)49(39-23-19-37(20-24-39)35-11-5-3-6-12-35)47-17-9-16-46-45(47)15-10-18-48(46)50(42-29-33-44(52-2)34-30-42)40-25-21-38(22-26-40)36-13-7-4-8-14-36/h3-34H,1-2H3
InChIKeyGWTRWHAGVDLBSK-UHFFFAOYSA-N
MW674.84 g/mol
LogP13.13
Rot. Bonds10

About 1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine

1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine (PubChem CID 101381671) has the molecular formula C48H38N2O2 and a molecular weight of 674.84 g/mol. Its IUPAC name is 1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine.

Molecular Properties

Compound Name1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine
PubChem CID101381671
Molecular FormulaC48H38N2O2
Molecular Weight674.84 g/mol
Exact Mass674.29
IUPAC Name1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine
SMILESCOc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c(N(c4ccc(OC)cc4)c4ccc(-c5ccccc5)cc4)cccc23)cc1
InChIInChI=1S/C48H38N2O2/c1-51-43-31-27-41(28-32-43)49(39-23-19-37(20-24-39)35-11-5-3-6-12-35)47-17-9-16-46-45(47)15-10-18-48(46)50(42-29-33-44(52-2)34-30-42)40-25-21-38(22-26-40)36-13-7-4-8-14-36/h3-34H,1-2H3
InChIKeyGWTRWHAGVDLBSK-UHFFFAOYSA-N
XLogP13.13
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.84
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431945
9-(4-methoxyphenyl)-N,N-bis(4-phenylphenyl)carbazol-4-amine
CID 90377538
3-methoxy-N-[4-[4-[4-(N-(6-methoxynaphthalen-1-yl)anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 54527686
N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine
CID 59133381
N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 161212613
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
1-N,3-N,5-N-tris(4-methoxyphenyl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine
CID 59907395
4-N-[9,10-bis(4-methoxyphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59211082
N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 160664392
3-N,3-N,9-N,9-N-tetrakis(4-methoxyphenyl)perylene-3,9-diamine
CID 20710079
8-N,22-N-bis(4-methoxyphenyl)-8-N,22-N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
CID 58890363

Frequently Asked Questions

What is the IUPAC name of 1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine?
The IUPAC name of 1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine (CID 101381671) is 1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine.
What is the SMILES notation for 1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine?
The canonical SMILES for 1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine is COc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c(N(c4ccc(OC)cc4)c4ccc(-c5ccccc5)cc4)cccc23)cc1.
What is the InChIKey of 1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine?
The InChIKey is GWTRWHAGVDLBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N2O2/c1-51-43-31-27-41(28-32-43)49(39-23-19-37(20-24-39)35-11-5-3-6-12-35)47-17-9-16-46-45(47)15-10-18-48(46)50(42-29-33-44(52-2)34-30-42)40-25-21-38(22-26-40)36-13-7-4-8-14-36/h3-34H,1-2H3.
What are the key properties of 1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine?
1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine has a molecular weight of 674.84 g/mol, XLogP of 13.13, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine is sourced from PubChem (CID 101381671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).