2-bromo-6-[[(6-bromonaphthalen-2-yl)-[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-[4-(3,5-difluorophenyl)cyclohexyl]methyl]naphthalene

C46H40Br2F4O — CID 141361731

IUPAC2-bromo-6-[[(6-bromonaphthalen-2-yl)-[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-[4-(3,5-difluorophenyl)cyclohexyl]methyl]naphthalene
SMILESFc1cc(F)cc(C2CCC(C(OC(c3ccc4cc(Br)ccc4c3)C3CCC(c4cc(F)cc(F)c4)CC3)c3ccc4cc(Br)ccc4c3)CC2)c1
InChIInChI=1S/C46H40Br2F4O/c47-39-15-13-31-17-35(11-9-33(31)19-39)45(29-5-1-27(2-6-29)37-21-41(49)25-42(50)22-37)53-46(36-12-10-34-20-40(48)16-14-32(34)18-36)30-7-3-28(4-8-30)38-23-43(51)26-44(52)24-38/h9-30,45-46H,1-8H2
InChIKeyYJVRGWAHUWBZKJ-UHFFFAOYSA-N
MW844.63 g/mol
LogP14.82
Rot. Bonds8

About 2-bromo-6-[[(6-bromonaphthalen-2-yl)-[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-[4-(3,5-difluorophenyl)cyclohexyl]methyl]naphthalene

2-bromo-6-[[(6-bromonaphthalen-2-yl)-[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-[4-(3,5-difluorophenyl)cyclohexyl]methyl]naphthalene (PubChem CID 141361731) has the molecular formula C46H40Br2F4O and a molecular weight of 844.63 g/mol. Its IUPAC name is 2-bromo-6-[[(6-bromonaphthalen-2-yl)-[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-[4-(3,5-difluorophenyl)cyclohexyl]methyl]naphthalene.

Molecular Properties

Compound Name2-bromo-6-[[(6-bromonaphthalen-2-yl)-[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-[4-(3,5-difluorophenyl)cyclohexyl]methyl]naphthalene
PubChem CID141361731
Molecular FormulaC46H40Br2F4O
Molecular Weight844.63 g/mol
Exact Mass842.14
IUPAC Name2-bromo-6-[[(6-bromonaphthalen-2-yl)-[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-[4-(3,5-difluorophenyl)cyclohexyl]methyl]naphthalene
SMILESFc1cc(F)cc(C2CCC(C(OC(c3ccc4cc(Br)ccc4c3)C3CCC(c4cc(F)cc(F)c4)CC3)c3ccc4cc(Br)ccc4c3)CC2)c1
InChIInChI=1S/C46H40Br2F4O/c47-39-15-13-31-17-35(11-9-33(31)19-39)45(29-5-1-27(2-6-29)37-21-41(49)25-42(50)22-37)53-46(36-12-10-34-20-40(48)16-14-32(34)18-36)30-7-3-28(4-8-30)38-23-43(51)26-44(52)24-38/h9-30,45-46H,1-8H2
InChIKeyYJVRGWAHUWBZKJ-UHFFFAOYSA-N
XLogP14.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.63
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-6-[[(6-bromonaphthalen-2-yl)-[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-[4-(3,5-difluorophenyl)cyclohexyl]methyl]naphthalene with MolForge

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Related Compounds

(2S)-5-[(4-bromophenyl)methoxy]-1,1,1-trifluoro-5-methyl-2-naphthalen-2-ylhex-3-yn-2-ol
CID 139037908
(1S,4R)-1,4-bis(4-bromonaphthalen-1-yl)-1,4-dimethoxynaphthalene
CID 89989807
2,8-Dibromo-5-[4-bromo-3-[(4-fluorophenoxy)methyl]phenyl]-6,11,12-tris[3-[(4-fluorophenoxy)methyl]phenyl]tetracene
CID 16141410
1-Bromo-2-[[[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]-phenylmethoxy]-phenylmethyl]-5-fluoro-3-(trifluoromethyl)benzene
CID 57251097
2-[4-[[4-[4-[Difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]cyclohexyl]oxy-difluoromethyl]cyclohexyl]-6-propylnaphthalene
CID 90179678
2-[4-[[4-[4-[Difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]cyclohexyl]oxymethyl]cyclohexyl]-6-methylnaphthalene
CID 90179960
1-Bromo-4-[difluoro-[4-[[4-[(3,4,5-trimethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]oxymethyl]-2,3-dimethylbenzene
CID 118604490
2-Bromo-7-(1-ethoxyethenyl)-9,9,10,10-tetrafluorophenanthrene
CID 122602713
4-Bromo-1-[[4-bromo-2-(4-fluorophenyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)benzene
CID 139889967
1-Bromo-4-[[(4-bromo-3-fluorophenyl)-(2-fluorophenyl)methoxy]-(2-fluorophenyl)methyl]-2-fluorobenzene
CID 140133741
1-Bromo-4-[[(4-bromo-2,3-difluorophenyl)-phenylmethoxy]-phenylmethyl]-2,3-difluorobenzene
CID 140194803
1-Bromo-4-[[(4-bromo-2,5-difluorophenyl)-phenylmethoxy]-phenylmethyl]-2,5-difluorobenzene
CID 140194809

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[(6-bromonaphthalen-2-yl)-[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-[4-(3,5-difluorophenyl)cyclohexyl]methyl]naphthalene?
The IUPAC name of 2-bromo-6-[[(6-bromonaphthalen-2-yl)-[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-[4-(3,5-difluorophenyl)cyclohexyl]methyl]naphthalene (CID 141361731) is 2-bromo-6-[[(6-bromonaphthalen-2-yl)-[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-[4-(3,5-difluorophenyl)cyclohexyl]methyl]naphthalene.
What is the SMILES notation for 2-bromo-6-[[(6-bromonaphthalen-2-yl)-[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-[4-(3,5-difluorophenyl)cyclohexyl]methyl]naphthalene?
The canonical SMILES for 2-bromo-6-[[(6-bromonaphthalen-2-yl)-[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-[4-(3,5-difluorophenyl)cyclohexyl]methyl]naphthalene is Fc1cc(F)cc(C2CCC(C(OC(c3ccc4cc(Br)ccc4c3)C3CCC(c4cc(F)cc(F)c4)CC3)c3ccc4cc(Br)ccc4c3)CC2)c1.
What is the InChIKey of 2-bromo-6-[[(6-bromonaphthalen-2-yl)-[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-[4-(3,5-difluorophenyl)cyclohexyl]methyl]naphthalene?
The InChIKey is YJVRGWAHUWBZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40Br2F4O/c47-39-15-13-31-17-35(11-9-33(31)19-39)45(29-5-1-27(2-6-29)37-21-41(49)25-42(50)22-37)53-46(36-12-10-34-20-40(48)16-14-32(34)18-36)30-7-3-28(4-8-30)38-23-43(51)26-44(52)24-38/h9-30,45-46H,1-8H2.
What are the key properties of 2-bromo-6-[[(6-bromonaphthalen-2-yl)-[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-[4-(3,5-difluorophenyl)cyclohexyl]methyl]naphthalene?
2-bromo-6-[[(6-bromonaphthalen-2-yl)-[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-[4-(3,5-difluorophenyl)cyclohexyl]methyl]naphthalene has a molecular weight of 844.63 g/mol, XLogP of 14.82, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[[(6-bromonaphthalen-2-yl)-[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-[4-(3,5-difluorophenyl)cyclohexyl]methyl]naphthalene is sourced from PubChem (CID 141361731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).