6-[4-[N-naphthalen-1-yl-4-[4-(N-[4-(2,3,5,6-tetrahydroxy-4-methylphenyl)phenyl]anilino)phenyl]anilino]phenyl]benzene-1,2,3,4,5-pentol;bis(prop-1-ene)

C59H52N2O9 — CID 145442200

IUPAC6-[4-[N-naphthalen-1-yl-4-[4-(N-[4-(2,3,5,6-tetrahydroxy-4-methylphenyl)phenyl]anilino)phenyl]anilino]phenyl]benzene-1,2,3,4,5-pentol;bis(prop-1-ene)
SMILESC=CC.C=CC.Cc1c(O)c(O)c(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6c(O)c(O)c(O)c(O)c6O)cc5)c5cccc6ccccc56)cc4)cc3)cc2)c(O)c1O
InChIInChI=1S/C53H40N2O9.2C3H6/c1-30-45(56)47(58)43(48(59)46(30)57)34-18-26-38(27-19-34)54(36-10-3-2-4-11-36)37-22-14-31(15-23-37)32-16-24-39(25-17-32)55(42-13-7-9-33-8-5-6-12-41(33)42)40-28-20-35(21-29-40)44-49(60)51(62)53(64)52(63)50(44)61;2*1-3-2/h2-29,56-64H,1H3;2*3H,1H2,2H3
InChIKeyUWEIMCIFBWVHIX-UHFFFAOYSA-N
MW933.07 g/mol
LogP14.82
Rot. Bonds9

About 6-[4-[N-naphthalen-1-yl-4-[4-(N-[4-(2,3,5,6-tetrahydroxy-4-methylphenyl)phenyl]anilino)phenyl]anilino]phenyl]benzene-1,2,3,4,5-pentol;bis(prop-1-ene)

6-[4-[N-naphthalen-1-yl-4-[4-(N-[4-(2,3,5,6-tetrahydroxy-4-methylphenyl)phenyl]anilino)phenyl]anilino]phenyl]benzene-1,2,3,4,5-pentol;bis(prop-1-ene) (PubChem CID 145442200) has the molecular formula C59H52N2O9 and a molecular weight of 933.07 g/mol. Its IUPAC name is 6-[4-[N-naphthalen-1-yl-4-[4-(N-[4-(2,3,5,6-tetrahydroxy-4-methylphenyl)phenyl]anilino)phenyl]anilino]phenyl]benzene-1,2,3,4,5-pentol;bis(prop-1-ene).

Molecular Properties

Compound Name6-[4-[N-naphthalen-1-yl-4-[4-(N-[4-(2,3,5,6-tetrahydroxy-4-methylphenyl)phenyl]anilino)phenyl]anilino]phenyl]benzene-1,2,3,4,5-pentol;bis(prop-1-ene)
PubChem CID145442200
Molecular FormulaC59H52N2O9
Molecular Weight933.07 g/mol
Exact Mass932.37
IUPAC Name6-[4-[N-naphthalen-1-yl-4-[4-(N-[4-(2,3,5,6-tetrahydroxy-4-methylphenyl)phenyl]anilino)phenyl]anilino]phenyl]benzene-1,2,3,4,5-pentol;bis(prop-1-ene)
SMILESC=CC.C=CC.Cc1c(O)c(O)c(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6c(O)c(O)c(O)c(O)c6O)cc5)c5cccc6ccccc56)cc4)cc3)cc2)c(O)c1O
InChIInChI=1S/C53H40N2O9.2C3H6/c1-30-45(56)47(58)43(48(59)46(30)57)34-18-26-38(27-19-34)54(36-10-3-2-4-11-36)37-22-14-31(15-23-37)32-16-24-39(25-17-32)55(42-13-7-9-33-8-5-6-12-41(33)42)40-28-20-35(21-29-40)44-49(60)51(62)53(64)52(63)50(44)61;2*1-3-2/h2-29,56-64H,1H3;2*3H,1H2,2H3
InChIKeyUWEIMCIFBWVHIX-UHFFFAOYSA-N
XLogP14.82
TPSA188.55 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500933.07
LogP ≤ 514.82
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-[4-[N-naphthalen-1-yl-4-[4-(N-[4-(2,3,5,6-tetrahydroxy-4-methylphenyl)phenyl]anilino)phenyl]anilino]phenyl]benzene-1,2,3,4,5-pentol;bis(prop-1-ene) with MolForge

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Related Compounds

N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 154945555
N-[4-[4-[N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-[4-[4-(N-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 155471012
N,N-diphenyl-4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 160952409
N-phenyl-N-[4-[4-(4-phenyl-N-[4-[4-[4-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 134455282
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258
N-[4-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 162077665
N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 58729730
N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 58713806
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
N,N-diphenyl-4-[2,4,6-trimethyl-3-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-methyl-N-(4-methylphenyl)-N-[4-[2,4,6-trimethyl-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[2,4,6-trimethyl-3-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[2,4,6-trimethyl-3-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]phenyl]phenyl]naphthalen-1-amine
CID 157448504

Frequently Asked Questions

What is the IUPAC name of 6-[4-[N-naphthalen-1-yl-4-[4-(N-[4-(2,3,5,6-tetrahydroxy-4-methylphenyl)phenyl]anilino)phenyl]anilino]phenyl]benzene-1,2,3,4,5-pentol;bis(prop-1-ene)?
The IUPAC name of 6-[4-[N-naphthalen-1-yl-4-[4-(N-[4-(2,3,5,6-tetrahydroxy-4-methylphenyl)phenyl]anilino)phenyl]anilino]phenyl]benzene-1,2,3,4,5-pentol;bis(prop-1-ene) (CID 145442200) is 6-[4-[N-naphthalen-1-yl-4-[4-(N-[4-(2,3,5,6-tetrahydroxy-4-methylphenyl)phenyl]anilino)phenyl]anilino]phenyl]benzene-1,2,3,4,5-pentol;bis(prop-1-ene).
What is the SMILES notation for 6-[4-[N-naphthalen-1-yl-4-[4-(N-[4-(2,3,5,6-tetrahydroxy-4-methylphenyl)phenyl]anilino)phenyl]anilino]phenyl]benzene-1,2,3,4,5-pentol;bis(prop-1-ene)?
The canonical SMILES for 6-[4-[N-naphthalen-1-yl-4-[4-(N-[4-(2,3,5,6-tetrahydroxy-4-methylphenyl)phenyl]anilino)phenyl]anilino]phenyl]benzene-1,2,3,4,5-pentol;bis(prop-1-ene) is C=CC.C=CC.Cc1c(O)c(O)c(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6c(O)c(O)c(O)c(O)c6O)cc5)c5cccc6ccccc56)cc4)cc3)cc2)c(O)c1O.
What is the InChIKey of 6-[4-[N-naphthalen-1-yl-4-[4-(N-[4-(2,3,5,6-tetrahydroxy-4-methylphenyl)phenyl]anilino)phenyl]anilino]phenyl]benzene-1,2,3,4,5-pentol;bis(prop-1-ene)?
The InChIKey is UWEIMCIFBWVHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40N2O9.2C3H6/c1-30-45(56)47(58)43(48(59)46(30)57)34-18-26-38(27-19-34)54(36-10-3-2-4-11-36)37-22-14-31(15-23-37)32-16-24-39(25-17-32)55(42-13-7-9-33-8-5-6-12-41(33)42)40-28-20-35(21-29-40)44-49(60)51(62)53(64)52(63)50(44)61;2*1-3-2/h2-29,56-64H,1H3;2*3H,1H2,2H3.
What are the key properties of 6-[4-[N-naphthalen-1-yl-4-[4-(N-[4-(2,3,5,6-tetrahydroxy-4-methylphenyl)phenyl]anilino)phenyl]anilino]phenyl]benzene-1,2,3,4,5-pentol;bis(prop-1-ene)?
6-[4-[N-naphthalen-1-yl-4-[4-(N-[4-(2,3,5,6-tetrahydroxy-4-methylphenyl)phenyl]anilino)phenyl]anilino]phenyl]benzene-1,2,3,4,5-pentol;bis(prop-1-ene) has a molecular weight of 933.07 g/mol, XLogP of 14.82, 9 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[N-naphthalen-1-yl-4-[4-(N-[4-(2,3,5,6-tetrahydroxy-4-methylphenyl)phenyl]anilino)phenyl]anilino]phenyl]benzene-1,2,3,4,5-pentol;bis(prop-1-ene) is sourced from PubChem (CID 145442200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).