1-N-naphthalen-2-yl-3-N-(5-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine

C48H34N2 — CID 176588198

IUPAC1-N-naphthalen-2-yl-3-N-(5-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
SMILESc1ccc(N(c2cccc(N(c3ccccc3)c3ccc4c(-c5ccc6ccccc6c5)cccc4c3)c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C48H34N2/c1-3-18-41(19-4-1)49(45-28-27-36-14-8-10-16-38(36)32-45)43-22-12-23-44(34-43)50(42-20-5-2-6-21-42)46-29-30-48-39(33-46)17-11-24-47(48)40-26-25-35-13-7-9-15-37(35)31-40/h1-34H
InChIKeyBLCDNKGGRJTTPD-UHFFFAOYSA-N
MW638.81 g/mol
LogP13.75
Rot. Bonds7

About 1-N-naphthalen-2-yl-3-N-(5-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine

1-N-naphthalen-2-yl-3-N-(5-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine (PubChem CID 176588198) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is 1-N-naphthalen-2-yl-3-N-(5-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-naphthalen-2-yl-3-N-(5-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
PubChem CID176588198
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC Name1-N-naphthalen-2-yl-3-N-(5-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
SMILESc1ccc(N(c2cccc(N(c3ccccc3)c3ccc4c(-c5ccc6ccccc6c5)cccc4c3)c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C48H34N2/c1-3-18-41(19-4-1)49(45-28-27-36-14-8-10-16-38(36)32-45)43-22-12-23-44(34-43)50(42-20-5-2-6-21-42)46-29-30-48-39(33-46)17-11-24-47(48)40-26-25-35-13-7-9-15-37(35)31-40/h1-34H
InChIKeyBLCDNKGGRJTTPD-UHFFFAOYSA-N
XLogP13.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,5-dinaphthalen-2-yl-N-[3-phenyl-5-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 176588016
N-[4-(4-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylphenanthren-2-amine
CID 176588058
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324009
N-[4-[1-[3-(N-naphthalen-2-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 122416704
5-naphthalen-1-yl-3-N-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 146663317
3-N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176588253
4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 146496903
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172502599
N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)chrysen-3-amine
CID 170130702
N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine
CID 166917627
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167324368
methane;N-[4-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157113671

Frequently Asked Questions

What is the IUPAC name of 1-N-naphthalen-2-yl-3-N-(5-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine?
The IUPAC name of 1-N-naphthalen-2-yl-3-N-(5-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine (CID 176588198) is 1-N-naphthalen-2-yl-3-N-(5-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-naphthalen-2-yl-3-N-(5-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine?
The canonical SMILES for 1-N-naphthalen-2-yl-3-N-(5-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine is c1ccc(N(c2cccc(N(c3ccccc3)c3ccc4c(-c5ccc6ccccc6c5)cccc4c3)c2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 1-N-naphthalen-2-yl-3-N-(5-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine?
The InChIKey is BLCDNKGGRJTTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/c1-3-18-41(19-4-1)49(45-28-27-36-14-8-10-16-38(36)32-45)43-22-12-23-44(34-43)50(42-20-5-2-6-21-42)46-29-30-48-39(33-46)17-11-24-47(48)40-26-25-35-13-7-9-15-37(35)31-40/h1-34H.
What are the key properties of 1-N-naphthalen-2-yl-3-N-(5-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine?
1-N-naphthalen-2-yl-3-N-(5-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine has a molecular weight of 638.81 g/mol, XLogP of 13.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-naphthalen-2-yl-3-N-(5-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine is sourced from PubChem (CID 176588198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).