4,9-dimethoxy-1-N,3-N,6-N,8-N-tetrakis(4-methoxyphenyl)-1-N,3-N,6-N,8-N-tetrakis(4-methylphenyl)pyrene-1,3,6,8-tetramine

C74H66N4O6 — CID 59308978

IUPAC4,9-dimethoxy-1-N,3-N,6-N,8-N-tetrakis(4-methoxyphenyl)-1-N,3-N,6-N,8-N-tetrakis(4-methylphenyl)pyrene-1,3,6,8-tetramine
SMILESCOc1ccc(N(c2ccc(C)cc2)c2cc(N(c3ccc(C)cc3)c3ccc(OC)cc3)c3c(OC)cc4c(N(c5ccc(C)cc5)c5ccc(OC)cc5)cc(N(c5ccc(C)cc5)c5ccc(OC)cc5)c5c(OC)cc2c3c45)cc1
InChIInChI=1S/C74H66N4O6/c1-47-11-19-51(20-12-47)75(55-27-35-59(79-5)36-28-55)65-45-67(77(53-23-15-49(3)16-24-53)57-31-39-61(81-7)40-32-57)73-70(84-10)44-64-66(76(52-21-13-48(2)14-22-52)56-29-37-60(80-6)38-30-56)46-68(74-69(83-9)43-63(65)71(73)72(64)74)78(54-25-17-50(4)18-26-54)58-33-41-62(82-8)42-34-58/h11-46H,1-10H3
InChIKeyMNVAFRDSFANUND-UHFFFAOYSA-N
MW1107.36 g/mol
LogP19.75
Rot. Bonds18

About 4,9-dimethoxy-1-N,3-N,6-N,8-N-tetrakis(4-methoxyphenyl)-1-N,3-N,6-N,8-N-tetrakis(4-methylphenyl)pyrene-1,3,6,8-tetramine

4,9-dimethoxy-1-N,3-N,6-N,8-N-tetrakis(4-methoxyphenyl)-1-N,3-N,6-N,8-N-tetrakis(4-methylphenyl)pyrene-1,3,6,8-tetramine (PubChem CID 59308978) has the molecular formula C74H66N4O6 and a molecular weight of 1107.36 g/mol. Its IUPAC name is 4,9-dimethoxy-1-N,3-N,6-N,8-N-tetrakis(4-methoxyphenyl)-1-N,3-N,6-N,8-N-tetrakis(4-methylphenyl)pyrene-1,3,6,8-tetramine.

Molecular Properties

Compound Name4,9-dimethoxy-1-N,3-N,6-N,8-N-tetrakis(4-methoxyphenyl)-1-N,3-N,6-N,8-N-tetrakis(4-methylphenyl)pyrene-1,3,6,8-tetramine
PubChem CID59308978
Molecular FormulaC74H66N4O6
Molecular Weight1107.36 g/mol
Exact Mass1106.50
IUPAC Name4,9-dimethoxy-1-N,3-N,6-N,8-N-tetrakis(4-methoxyphenyl)-1-N,3-N,6-N,8-N-tetrakis(4-methylphenyl)pyrene-1,3,6,8-tetramine
SMILESCOc1ccc(N(c2ccc(C)cc2)c2cc(N(c3ccc(C)cc3)c3ccc(OC)cc3)c3c(OC)cc4c(N(c5ccc(C)cc5)c5ccc(OC)cc5)cc(N(c5ccc(C)cc5)c5ccc(OC)cc5)c5c(OC)cc2c3c45)cc1
InChIInChI=1S/C74H66N4O6/c1-47-11-19-51(20-12-47)75(55-27-35-59(79-5)36-28-55)65-45-67(77(53-23-15-49(3)16-24-53)57-31-39-61(81-7)40-32-57)73-70(84-10)44-64-66(76(52-21-13-48(2)14-22-52)56-29-37-60(80-6)38-30-56)46-68(74-69(83-9)43-63(65)71(73)72(64)74)78(54-25-17-50(4)18-26-54)58-33-41-62(82-8)42-34-58/h11-46H,1-10H3
InChIKeyMNVAFRDSFANUND-UHFFFAOYSA-N
XLogP19.75
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001107.36
LogP ≤ 519.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4,9-dimethoxy-1-N,3-N,6-N,8-N-tetrakis(4-methoxyphenyl)-1-N,3-N,6-N,8-N-tetrakis(4-methylphenyl)pyrene-1,3,6,8-tetramine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,9-dimethoxy-1-N,3-N,6-N,8-N-tetrakis(4-methoxyphenyl)-1-N,3-N,6-N,8-N-tetrakis(4-methylphenyl)pyrene-1,3,6,8-tetramine?
The IUPAC name of 4,9-dimethoxy-1-N,3-N,6-N,8-N-tetrakis(4-methoxyphenyl)-1-N,3-N,6-N,8-N-tetrakis(4-methylphenyl)pyrene-1,3,6,8-tetramine (CID 59308978) is 4,9-dimethoxy-1-N,3-N,6-N,8-N-tetrakis(4-methoxyphenyl)-1-N,3-N,6-N,8-N-tetrakis(4-methylphenyl)pyrene-1,3,6,8-tetramine.
What is the SMILES notation for 4,9-dimethoxy-1-N,3-N,6-N,8-N-tetrakis(4-methoxyphenyl)-1-N,3-N,6-N,8-N-tetrakis(4-methylphenyl)pyrene-1,3,6,8-tetramine?
The canonical SMILES for 4,9-dimethoxy-1-N,3-N,6-N,8-N-tetrakis(4-methoxyphenyl)-1-N,3-N,6-N,8-N-tetrakis(4-methylphenyl)pyrene-1,3,6,8-tetramine is COc1ccc(N(c2ccc(C)cc2)c2cc(N(c3ccc(C)cc3)c3ccc(OC)cc3)c3c(OC)cc4c(N(c5ccc(C)cc5)c5ccc(OC)cc5)cc(N(c5ccc(C)cc5)c5ccc(OC)cc5)c5c(OC)cc2c3c45)cc1.
What is the InChIKey of 4,9-dimethoxy-1-N,3-N,6-N,8-N-tetrakis(4-methoxyphenyl)-1-N,3-N,6-N,8-N-tetrakis(4-methylphenyl)pyrene-1,3,6,8-tetramine?
The InChIKey is MNVAFRDSFANUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H66N4O6/c1-47-11-19-51(20-12-47)75(55-27-35-59(79-5)36-28-55)65-45-67(77(53-23-15-49(3)16-24-53)57-31-39-61(81-7)40-32-57)73-70(84-10)44-64-66(76(52-21-13-48(2)14-22-52)56-29-37-60(80-6)38-30-56)46-68(74-69(83-9)43-63(65)71(73)72(64)74)78(54-25-17-50(4)18-26-54)58-33-41-62(82-8)42-34-58/h11-46H,1-10H3.
What are the key properties of 4,9-dimethoxy-1-N,3-N,6-N,8-N-tetrakis(4-methoxyphenyl)-1-N,3-N,6-N,8-N-tetrakis(4-methylphenyl)pyrene-1,3,6,8-tetramine?
4,9-dimethoxy-1-N,3-N,6-N,8-N-tetrakis(4-methoxyphenyl)-1-N,3-N,6-N,8-N-tetrakis(4-methylphenyl)pyrene-1,3,6,8-tetramine has a molecular weight of 1107.36 g/mol, XLogP of 19.75, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethoxy-1-N,3-N,6-N,8-N-tetrakis(4-methoxyphenyl)-1-N,3-N,6-N,8-N-tetrakis(4-methylphenyl)pyrene-1,3,6,8-tetramine is sourced from PubChem (CID 59308978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).