1-(5-bromo-2-methoxy-3-pyridinyl)-5-[5-(cyclohexen-1-yl)-2-methoxy-3-pyridinyl]-4,8-bis(dimethylamino)-2,6-dinaphthalen-1-yl-1,5-diphenyloctane-2,6-diol

C62H65BrN4O4 — CID 174986681

IUPAC1-(5-bromo-2-methoxy-3-pyridinyl)-5-[5-(cyclohexen-1-yl)-2-methoxy-3-pyridinyl]-4,8-bis(dimethylamino)-2,6-dinaphthalen-1-yl-1,5-diphenyloctane-2,6-diol
SMILESCOc1ncc(Br)cc1C(c1ccccc1)C(O)(CC(N(C)C)C(c1ccccc1)(c1cc(C2=CCCCC2)cnc1OC)C(O)(CCN(C)C)c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C62H65BrN4O4/c1-66(2)37-36-61(69,54-35-21-29-45-25-17-19-33-51(45)54)62(48-30-14-9-15-31-48,55-38-47(41-64-59(55)71-6)43-22-10-7-11-23-43)56(67(3)4)40-60(68,53-34-20-28-44-24-16-18-32-50(44)53)57(46-26-12-8-13-27-46)52-39-49(63)42-65-58(52)70-5/h8-9,12-22,24-35,38-39,41-42,56-57,68-69H,7,10-11,23,36-37,40H2,1-6H3
InChIKeyQLXCUYGBIFNRPA-UHFFFAOYSA-N
MW1010.13 g/mol
LogP12.69
Rot. Bonds18

About 1-(5-bromo-2-methoxy-3-pyridinyl)-5-[5-(cyclohexen-1-yl)-2-methoxy-3-pyridinyl]-4,8-bis(dimethylamino)-2,6-dinaphthalen-1-yl-1,5-diphenyloctane-2,6-diol

1-(5-bromo-2-methoxy-3-pyridinyl)-5-[5-(cyclohexen-1-yl)-2-methoxy-3-pyridinyl]-4,8-bis(dimethylamino)-2,6-dinaphthalen-1-yl-1,5-diphenyloctane-2,6-diol (PubChem CID 174986681) has the molecular formula C62H65BrN4O4 and a molecular weight of 1010.13 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxy-3-pyridinyl)-5-[5-(cyclohexen-1-yl)-2-methoxy-3-pyridinyl]-4,8-bis(dimethylamino)-2,6-dinaphthalen-1-yl-1,5-diphenyloctane-2,6-diol.

Molecular Properties

Compound Name1-(5-bromo-2-methoxy-3-pyridinyl)-5-[5-(cyclohexen-1-yl)-2-methoxy-3-pyridinyl]-4,8-bis(dimethylamino)-2,6-dinaphthalen-1-yl-1,5-diphenyloctane-2,6-diol
PubChem CID174986681
Molecular FormulaC62H65BrN4O4
Molecular Weight1010.13 g/mol
Exact Mass1008.42
IUPAC Name1-(5-bromo-2-methoxy-3-pyridinyl)-5-[5-(cyclohexen-1-yl)-2-methoxy-3-pyridinyl]-4,8-bis(dimethylamino)-2,6-dinaphthalen-1-yl-1,5-diphenyloctane-2,6-diol
SMILESCOc1ncc(Br)cc1C(c1ccccc1)C(O)(CC(N(C)C)C(c1ccccc1)(c1cc(C2=CCCCC2)cnc1OC)C(O)(CCN(C)C)c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C62H65BrN4O4/c1-66(2)37-36-61(69,54-35-21-29-45-25-17-19-33-51(45)54)62(48-30-14-9-15-31-48,55-38-47(41-64-59(55)71-6)43-22-10-7-11-23-43)56(67(3)4)40-60(68,53-34-20-28-44-24-16-18-32-50(44)53)57(46-26-12-8-13-27-46)52-39-49(63)42-65-58(52)70-5/h8-9,12-22,24-35,38-39,41-42,56-57,68-69H,7,10-11,23,36-37,40H2,1-6H3
InChIKeyQLXCUYGBIFNRPA-UHFFFAOYSA-N
XLogP12.69
TPSA91.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001010.13
LogP ≤ 512.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(5-bromo-2-methoxy-3-pyridinyl)-5-[5-(cyclohexen-1-yl)-2-methoxy-3-pyridinyl]-4,8-bis(dimethylamino)-2,6-dinaphthalen-1-yl-1,5-diphenyloctane-2,6-diol with MolForge

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Related Compounds

5-[4-(dimethylamino)-2-hydroxy-2-naphthalen-1-yl-1-phenylbutyl]-6-methoxypyridine-3-carbaldehyde
CID 118671827
4-(dimethylamino)-1-[5-(furan-3-yl)-2-methoxy-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 129135248
1-[5-(3,4-difluorophenyl)-2-methoxy-3-pyridinyl]-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 118672049
(2R)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 138110294
4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1,2-diphenylbutan-2-ol;ethane
CID 144997558
4-(dimethylamino)-1-[2-methoxy-5-(1-methylacridin-4-yl)-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 151637427
3-benzyl-5-bromo-2-methoxypyridine;3-benzyl-5-tert-butyl-2-methoxypyridine;1-(5-tert-butyl-2-methoxy-3-pyridinyl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol;3-(dimethylamino)-1-naphthalen-1-ylpropan-1-one
CID 162054752
4-(dimethylamino)-1-[2-methoxy-5-[(E)-5-methylsulfanylpent-2-en-3-yl]-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 129156873
4-(dimethylamino)-1-(2-methoxy-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 118671929
(1S,2S)-4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 124581629
1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 174985178
(3-bromophenyl)-[3-[4-(dimethylamino)-2-hydroxy-2-naphthalen-1-yl-1-phenylbutyl]-2-methoxyquinolin-6-yl]methanone
CID 59199486

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxy-3-pyridinyl)-5-[5-(cyclohexen-1-yl)-2-methoxy-3-pyridinyl]-4,8-bis(dimethylamino)-2,6-dinaphthalen-1-yl-1,5-diphenyloctane-2,6-diol?
The IUPAC name of 1-(5-bromo-2-methoxy-3-pyridinyl)-5-[5-(cyclohexen-1-yl)-2-methoxy-3-pyridinyl]-4,8-bis(dimethylamino)-2,6-dinaphthalen-1-yl-1,5-diphenyloctane-2,6-diol (CID 174986681) is 1-(5-bromo-2-methoxy-3-pyridinyl)-5-[5-(cyclohexen-1-yl)-2-methoxy-3-pyridinyl]-4,8-bis(dimethylamino)-2,6-dinaphthalen-1-yl-1,5-diphenyloctane-2,6-diol.
What is the SMILES notation for 1-(5-bromo-2-methoxy-3-pyridinyl)-5-[5-(cyclohexen-1-yl)-2-methoxy-3-pyridinyl]-4,8-bis(dimethylamino)-2,6-dinaphthalen-1-yl-1,5-diphenyloctane-2,6-diol?
The canonical SMILES for 1-(5-bromo-2-methoxy-3-pyridinyl)-5-[5-(cyclohexen-1-yl)-2-methoxy-3-pyridinyl]-4,8-bis(dimethylamino)-2,6-dinaphthalen-1-yl-1,5-diphenyloctane-2,6-diol is COc1ncc(Br)cc1C(c1ccccc1)C(O)(CC(N(C)C)C(c1ccccc1)(c1cc(C2=CCCCC2)cnc1OC)C(O)(CCN(C)C)c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of 1-(5-bromo-2-methoxy-3-pyridinyl)-5-[5-(cyclohexen-1-yl)-2-methoxy-3-pyridinyl]-4,8-bis(dimethylamino)-2,6-dinaphthalen-1-yl-1,5-diphenyloctane-2,6-diol?
The InChIKey is QLXCUYGBIFNRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H65BrN4O4/c1-66(2)37-36-61(69,54-35-21-29-45-25-17-19-33-51(45)54)62(48-30-14-9-15-31-48,55-38-47(41-64-59(55)71-6)43-22-10-7-11-23-43)56(67(3)4)40-60(68,53-34-20-28-44-24-16-18-32-50(44)53)57(46-26-12-8-13-27-46)52-39-49(63)42-65-58(52)70-5/h8-9,12-22,24-35,38-39,41-42,56-57,68-69H,7,10-11,23,36-37,40H2,1-6H3.
What are the key properties of 1-(5-bromo-2-methoxy-3-pyridinyl)-5-[5-(cyclohexen-1-yl)-2-methoxy-3-pyridinyl]-4,8-bis(dimethylamino)-2,6-dinaphthalen-1-yl-1,5-diphenyloctane-2,6-diol?
1-(5-bromo-2-methoxy-3-pyridinyl)-5-[5-(cyclohexen-1-yl)-2-methoxy-3-pyridinyl]-4,8-bis(dimethylamino)-2,6-dinaphthalen-1-yl-1,5-diphenyloctane-2,6-diol has a molecular weight of 1010.13 g/mol, XLogP of 12.69, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxy-3-pyridinyl)-5-[5-(cyclohexen-1-yl)-2-methoxy-3-pyridinyl]-4,8-bis(dimethylamino)-2,6-dinaphthalen-1-yl-1,5-diphenyloctane-2,6-diol is sourced from PubChem (CID 174986681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).