2-[3-[2,6-dihydroxy-4-(N-naphthalen-2-ylanilino)phenyl]-2,4-dihydroxycyclobuta-1,3-dien-1-yl]-5-(N-naphthalen-2-ylanilino)benzene-1,3-diol

C48H34N2O6 — CID 70799951

IUPAC2-[3-[2,6-dihydroxy-4-(N-naphthalen-2-ylanilino)phenyl]-2,4-dihydroxycyclobuta-1,3-dien-1-yl]-5-(N-naphthalen-2-ylanilino)benzene-1,3-diol
SMILESOC1=C(c2c(O)cc(N(c3ccccc3)c3ccc4ccccc4c3)cc2O)C(O)=C1c1c(O)cc(N(c2ccccc2)c2ccc3ccccc3c2)cc1O
InChIInChI=1S/C48H34N2O6/c51-39-25-37(49(33-15-3-1-4-16-33)35-21-19-29-11-7-9-13-31(29)23-35)26-40(52)43(39)45-47(55)46(48(45)56)44-41(53)27-38(28-42(44)54)50(34-17-5-2-6-18-34)36-22-20-30-12-8-10-14-32(30)24-36/h1-28,51-56H
InChIKeyWGQVSLJTKOFZBU-UHFFFAOYSA-N
MW734.81 g/mol
LogP12.01
Rot. Bonds8

About 2-[3-[2,6-dihydroxy-4-(N-naphthalen-2-ylanilino)phenyl]-2,4-dihydroxycyclobuta-1,3-dien-1-yl]-5-(N-naphthalen-2-ylanilino)benzene-1,3-diol

2-[3-[2,6-dihydroxy-4-(N-naphthalen-2-ylanilino)phenyl]-2,4-dihydroxycyclobuta-1,3-dien-1-yl]-5-(N-naphthalen-2-ylanilino)benzene-1,3-diol (PubChem CID 70799951) has the molecular formula C48H34N2O6 and a molecular weight of 734.81 g/mol. Its IUPAC name is 2-[3-[2,6-dihydroxy-4-(N-naphthalen-2-ylanilino)phenyl]-2,4-dihydroxycyclobuta-1,3-dien-1-yl]-5-(N-naphthalen-2-ylanilino)benzene-1,3-diol.

Molecular Properties

Compound Name2-[3-[2,6-dihydroxy-4-(N-naphthalen-2-ylanilino)phenyl]-2,4-dihydroxycyclobuta-1,3-dien-1-yl]-5-(N-naphthalen-2-ylanilino)benzene-1,3-diol
PubChem CID70799951
Molecular FormulaC48H34N2O6
Molecular Weight734.81 g/mol
Exact Mass734.24
IUPAC Name2-[3-[2,6-dihydroxy-4-(N-naphthalen-2-ylanilino)phenyl]-2,4-dihydroxycyclobuta-1,3-dien-1-yl]-5-(N-naphthalen-2-ylanilino)benzene-1,3-diol
SMILESOC1=C(c2c(O)cc(N(c3ccccc3)c3ccc4ccccc4c3)cc2O)C(O)=C1c1c(O)cc(N(c2ccccc2)c2ccc3ccccc3c2)cc1O
InChIInChI=1S/C48H34N2O6/c51-39-25-37(49(33-15-3-1-4-16-33)35-21-19-29-11-7-9-13-31(29)23-35)26-40(52)43(39)45-47(55)46(48(45)56)44-41(53)27-38(28-42(44)54)50(34-17-5-2-6-18-34)36-22-20-30-12-8-10-14-32(30)24-36/h1-28,51-56H
InChIKeyWGQVSLJTKOFZBU-UHFFFAOYSA-N
XLogP12.01
TPSA127.86 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500734.81
LogP ≤ 512.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 2-[3-[2,6-dihydroxy-4-(N-naphthalen-2-ylanilino)phenyl]-2,4-dihydroxycyclobuta-1,3-dien-1-yl]-5-(N-naphthalen-2-ylanilino)benzene-1,3-diol with MolForge

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Related Compounds

N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 161230794
[3-(N-naphthalen-2-ylanilino)phenyl]boronic acid
CID 171727559
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
N-(4-methoxyphenyl)-N-phenylnaphthalen-2-amine
CID 15905236
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334
N-(4-ethylphenyl)-N-phenylnaphthalen-2-amine
CID 15445670
2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
N-(4-methylsulfanylphenyl)-N-phenylnaphthalen-2-amine
CID 70891422
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292153

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2,6-dihydroxy-4-(N-naphthalen-2-ylanilino)phenyl]-2,4-dihydroxycyclobuta-1,3-dien-1-yl]-5-(N-naphthalen-2-ylanilino)benzene-1,3-diol?
The IUPAC name of 2-[3-[2,6-dihydroxy-4-(N-naphthalen-2-ylanilino)phenyl]-2,4-dihydroxycyclobuta-1,3-dien-1-yl]-5-(N-naphthalen-2-ylanilino)benzene-1,3-diol (CID 70799951) is 2-[3-[2,6-dihydroxy-4-(N-naphthalen-2-ylanilino)phenyl]-2,4-dihydroxycyclobuta-1,3-dien-1-yl]-5-(N-naphthalen-2-ylanilino)benzene-1,3-diol.
What is the SMILES notation for 2-[3-[2,6-dihydroxy-4-(N-naphthalen-2-ylanilino)phenyl]-2,4-dihydroxycyclobuta-1,3-dien-1-yl]-5-(N-naphthalen-2-ylanilino)benzene-1,3-diol?
The canonical SMILES for 2-[3-[2,6-dihydroxy-4-(N-naphthalen-2-ylanilino)phenyl]-2,4-dihydroxycyclobuta-1,3-dien-1-yl]-5-(N-naphthalen-2-ylanilino)benzene-1,3-diol is OC1=C(c2c(O)cc(N(c3ccccc3)c3ccc4ccccc4c3)cc2O)C(O)=C1c1c(O)cc(N(c2ccccc2)c2ccc3ccccc3c2)cc1O.
What is the InChIKey of 2-[3-[2,6-dihydroxy-4-(N-naphthalen-2-ylanilino)phenyl]-2,4-dihydroxycyclobuta-1,3-dien-1-yl]-5-(N-naphthalen-2-ylanilino)benzene-1,3-diol?
The InChIKey is WGQVSLJTKOFZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2O6/c51-39-25-37(49(33-15-3-1-4-16-33)35-21-19-29-11-7-9-13-31(29)23-35)26-40(52)43(39)45-47(55)46(48(45)56)44-41(53)27-38(28-42(44)54)50(34-17-5-2-6-18-34)36-22-20-30-12-8-10-14-32(30)24-36/h1-28,51-56H.
What are the key properties of 2-[3-[2,6-dihydroxy-4-(N-naphthalen-2-ylanilino)phenyl]-2,4-dihydroxycyclobuta-1,3-dien-1-yl]-5-(N-naphthalen-2-ylanilino)benzene-1,3-diol?
2-[3-[2,6-dihydroxy-4-(N-naphthalen-2-ylanilino)phenyl]-2,4-dihydroxycyclobuta-1,3-dien-1-yl]-5-(N-naphthalen-2-ylanilino)benzene-1,3-diol has a molecular weight of 734.81 g/mol, XLogP of 12.01, 8 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2,6-dihydroxy-4-(N-naphthalen-2-ylanilino)phenyl]-2,4-dihydroxycyclobuta-1,3-dien-1-yl]-5-(N-naphthalen-2-ylanilino)benzene-1,3-diol is sourced from PubChem (CID 70799951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).