1-[[3-[[2-hydroxy-6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]-6-[4-(N-phenylanilino)phenyl]naphthalen-2-ol

C67H52N4O2 — CID 163519230

IUPAC1-[[3-[[2-hydroxy-6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]-6-[4-(N-phenylanilino)phenyl]naphthalen-2-ol
SMILESCc1cc(C)c(/N=C/c2c(O)ccc3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc23)c(C)c1/N=C/c1c(O)ccc2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc12
InChIInChI=1S/C67H52N4O2/c1-45-40-46(2)67(69-44-63-61-37-29-51(42-53(61)31-39-65(63)73)49-26-34-59(35-27-49)71(56-20-12-6-13-21-56)57-22-14-7-15-23-57)47(3)66(45)68-43-62-60-36-28-50(41-52(60)30-38-64(62)72)48-24-32-58(33-25-48)70(54-16-8-4-9-17-54)55-18-10-5-11-19-55/h4-44,72-73H,1-3H3/b68-43+,69-44+
InChIKeyDJIDXJKOJHNGTC-YGUCJDMISA-N
MW945.18 g/mol
LogP18.10
Rot. Bonds12

About 1-[[3-[[2-hydroxy-6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]-6-[4-(N-phenylanilino)phenyl]naphthalen-2-ol

1-[[3-[[2-hydroxy-6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]-6-[4-(N-phenylanilino)phenyl]naphthalen-2-ol (PubChem CID 163519230) has the molecular formula C67H52N4O2 and a molecular weight of 945.18 g/mol. Its IUPAC name is 1-[[3-[[2-hydroxy-6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]-6-[4-(N-phenylanilino)phenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[3-[[2-hydroxy-6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]-6-[4-(N-phenylanilino)phenyl]naphthalen-2-ol
PubChem CID163519230
Molecular FormulaC67H52N4O2
Molecular Weight945.18 g/mol
Exact Mass944.41
IUPAC Name1-[[3-[[2-hydroxy-6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]-6-[4-(N-phenylanilino)phenyl]naphthalen-2-ol
SMILESCc1cc(C)c(/N=C/c2c(O)ccc3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc23)c(C)c1/N=C/c1c(O)ccc2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc12
InChIInChI=1S/C67H52N4O2/c1-45-40-46(2)67(69-44-63-61-37-29-51(42-53(61)31-39-65(63)73)49-26-34-59(35-27-49)71(56-20-12-6-13-21-56)57-22-14-7-15-23-57)47(3)66(45)68-43-62-60-36-28-50(41-52(60)30-38-64(62)72)48-24-32-58(33-25-48)70(54-16-8-4-9-17-54)55-18-10-5-11-19-55/h4-44,72-73H,1-3H3/b68-43+,69-44+
InChIKeyDJIDXJKOJHNGTC-YGUCJDMISA-N
XLogP18.10
TPSA71.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.18
LogP ≤ 518.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[[3-[[2-hydroxy-6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]-6-[4-(N-phenylanilino)phenyl]naphthalen-2-ol with MolForge

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Related Compounds

2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754908
2-N,7-N,7-N-triphenyl-2-N-[4-[4-(N-[7-(N-phenylanilino)phenanthren-2-yl]anilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754854
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
N,N-diphenyl-4-[4-(propylideneamino)phenyl]aniline;2-methyl-4-[[4-[4-(N-phenylanilino)phenyl]phenyl]iminomethyl]phenol
CID 167703041
N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaenyl]aniline
CID 132542294
2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine
CID 59754872
4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-N,N-diphenylaniline
CID 145009490
N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline
CID 58511216
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
[6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]boronic acid
CID 140786550
N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline
CID 58900733

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[2-hydroxy-6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]-6-[4-(N-phenylanilino)phenyl]naphthalen-2-ol?
The IUPAC name of 1-[[3-[[2-hydroxy-6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]-6-[4-(N-phenylanilino)phenyl]naphthalen-2-ol (CID 163519230) is 1-[[3-[[2-hydroxy-6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]-6-[4-(N-phenylanilino)phenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[3-[[2-hydroxy-6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]-6-[4-(N-phenylanilino)phenyl]naphthalen-2-ol?
The canonical SMILES for 1-[[3-[[2-hydroxy-6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]-6-[4-(N-phenylanilino)phenyl]naphthalen-2-ol is Cc1cc(C)c(/N=C/c2c(O)ccc3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc23)c(C)c1/N=C/c1c(O)ccc2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc12.
What is the InChIKey of 1-[[3-[[2-hydroxy-6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]-6-[4-(N-phenylanilino)phenyl]naphthalen-2-ol?
The InChIKey is DJIDXJKOJHNGTC-YGUCJDMISA-N. The full InChI is InChI=1S/C67H52N4O2/c1-45-40-46(2)67(69-44-63-61-37-29-51(42-53(61)31-39-65(63)73)49-26-34-59(35-27-49)71(56-20-12-6-13-21-56)57-22-14-7-15-23-57)47(3)66(45)68-43-62-60-36-28-50(41-52(60)30-38-64(62)72)48-24-32-58(33-25-48)70(54-16-8-4-9-17-54)55-18-10-5-11-19-55/h4-44,72-73H,1-3H3/b68-43+,69-44+.
What are the key properties of 1-[[3-[[2-hydroxy-6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]-6-[4-(N-phenylanilino)phenyl]naphthalen-2-ol?
1-[[3-[[2-hydroxy-6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]-6-[4-(N-phenylanilino)phenyl]naphthalen-2-ol has a molecular weight of 945.18 g/mol, XLogP of 18.10, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[2-hydroxy-6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]-6-[4-(N-phenylanilino)phenyl]naphthalen-2-ol is sourced from PubChem (CID 163519230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).