1-N,5-N-bis(6-bromonaphthalen-2-yl)-1-N,5-N-diphenylnaphthalene-1,5-diamine

C42H28Br2N2 — CID 59575239

IUPAC1-N,5-N-bis(6-bromonaphthalen-2-yl)-1-N,5-N-diphenylnaphthalene-1,5-diamine
SMILESBrc1ccc2cc(N(c3ccccc3)c3cccc4c(N(c5ccccc5)c5ccc6cc(Br)ccc6c5)cccc34)ccc2c1
InChIInChI=1S/C42H28Br2N2/c43-33-21-17-31-27-37(23-19-29(31)25-33)45(35-9-3-1-4-10-35)41-15-7-14-40-39(41)13-8-16-42(40)46(36-11-5-2-6-12-36)38-24-20-30-26-34(44)22-18-32(30)28-38/h1-28H
InChIKeyGJLCIJDOXGRIAT-UHFFFAOYSA-N
MW720.51 g/mol
LogP13.61
Rot. Bonds6

About 1-N,5-N-bis(6-bromonaphthalen-2-yl)-1-N,5-N-diphenylnaphthalene-1,5-diamine

1-N,5-N-bis(6-bromonaphthalen-2-yl)-1-N,5-N-diphenylnaphthalene-1,5-diamine (PubChem CID 59575239) has the molecular formula C42H28Br2N2 and a molecular weight of 720.51 g/mol. Its IUPAC name is 1-N,5-N-bis(6-bromonaphthalen-2-yl)-1-N,5-N-diphenylnaphthalene-1,5-diamine.

Molecular Properties

Compound Name1-N,5-N-bis(6-bromonaphthalen-2-yl)-1-N,5-N-diphenylnaphthalene-1,5-diamine
PubChem CID59575239
Molecular FormulaC42H28Br2N2
Molecular Weight720.51 g/mol
Exact Mass718.06
IUPAC Name1-N,5-N-bis(6-bromonaphthalen-2-yl)-1-N,5-N-diphenylnaphthalene-1,5-diamine
SMILESBrc1ccc2cc(N(c3ccccc3)c3cccc4c(N(c5ccccc5)c5ccc6cc(Br)ccc6c5)cccc34)ccc2c1
InChIInChI=1S/C42H28Br2N2/c43-33-21-17-31-27-37(23-19-29(31)25-33)45(35-9-3-1-4-10-35)41-15-7-14-40-39(41)13-8-16-42(40)46(36-11-5-2-6-12-36)38-24-20-30-26-34(44)22-18-32(30)28-38/h1-28H
InChIKeyGJLCIJDOXGRIAT-UHFFFAOYSA-N
XLogP13.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.51
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(6-bromonaphthalen-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
CID 58078221
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
1-N,9-N-dinaphthalen-2-yl-1-N,9-N-diphenylchrysene-1,9-diamine
CID 170410643
7-bromo-N-naphthalen-1-yl-N,9-diphenylcarbazol-2-amine
CID 121328079
N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine
CID 59893001
N-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 159314594
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 158284393
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
N-[4-[4-(N-[4-[4-(N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-[4-(N-[4-[4-(N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-[N-naphthalen-1-yl-4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157185811
6-methyl-N-naphthalen-1-yl-N-phenylnaphthalen-2-amine
CID 58876066
N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]naphthalen-2-amine;4-N-naphthalen-1-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 159764357
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]naphthalen-2-amine
CID 159759167

Frequently Asked Questions

What is the IUPAC name of 1-N,5-N-bis(6-bromonaphthalen-2-yl)-1-N,5-N-diphenylnaphthalene-1,5-diamine?
The IUPAC name of 1-N,5-N-bis(6-bromonaphthalen-2-yl)-1-N,5-N-diphenylnaphthalene-1,5-diamine (CID 59575239) is 1-N,5-N-bis(6-bromonaphthalen-2-yl)-1-N,5-N-diphenylnaphthalene-1,5-diamine.
What is the SMILES notation for 1-N,5-N-bis(6-bromonaphthalen-2-yl)-1-N,5-N-diphenylnaphthalene-1,5-diamine?
The canonical SMILES for 1-N,5-N-bis(6-bromonaphthalen-2-yl)-1-N,5-N-diphenylnaphthalene-1,5-diamine is Brc1ccc2cc(N(c3ccccc3)c3cccc4c(N(c5ccccc5)c5ccc6cc(Br)ccc6c5)cccc34)ccc2c1.
What is the InChIKey of 1-N,5-N-bis(6-bromonaphthalen-2-yl)-1-N,5-N-diphenylnaphthalene-1,5-diamine?
The InChIKey is GJLCIJDOXGRIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28Br2N2/c43-33-21-17-31-27-37(23-19-29(31)25-33)45(35-9-3-1-4-10-35)41-15-7-14-40-39(41)13-8-16-42(40)46(36-11-5-2-6-12-36)38-24-20-30-26-34(44)22-18-32(30)28-38/h1-28H.
What are the key properties of 1-N,5-N-bis(6-bromonaphthalen-2-yl)-1-N,5-N-diphenylnaphthalene-1,5-diamine?
1-N,5-N-bis(6-bromonaphthalen-2-yl)-1-N,5-N-diphenylnaphthalene-1,5-diamine has a molecular weight of 720.51 g/mol, XLogP of 13.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,5-N-bis(6-bromonaphthalen-2-yl)-1-N,5-N-diphenylnaphthalene-1,5-diamine is sourced from PubChem (CID 59575239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).