1-(2-bromonaphthalen-1-yl)-2-(2-methoxyphenyl)naphthalene

C27H19BrO — CID 72545963

IUPAC1-(2-bromonaphthalen-1-yl)-2-(2-methoxyphenyl)naphthalene
SMILESCOc1ccccc1-c1ccc2ccccc2c1-c1c(Br)ccc2ccccc12
InChIInChI=1S/C27H19BrO/c1-29-25-13-7-6-12-22(25)23-16-14-18-8-2-4-10-20(18)26(23)27-21-11-5-3-9-19(21)15-17-24(27)28/h2-17H,1H3
InChIKeyXRBAJRQAXPGMPW-UHFFFAOYSA-N
MW439.35 g/mol
LogP8.10
Rot. Bonds3

About 1-(2-bromonaphthalen-1-yl)-2-(2-methoxyphenyl)naphthalene

1-(2-bromonaphthalen-1-yl)-2-(2-methoxyphenyl)naphthalene (PubChem CID 72545963) has the molecular formula C27H19BrO and a molecular weight of 439.35 g/mol. Its IUPAC name is 1-(2-bromonaphthalen-1-yl)-2-(2-methoxyphenyl)naphthalene.

Molecular Properties

Compound Name1-(2-bromonaphthalen-1-yl)-2-(2-methoxyphenyl)naphthalene
PubChem CID72545963
Molecular FormulaC27H19BrO
Molecular Weight439.35 g/mol
Exact Mass438.06
IUPAC Name1-(2-bromonaphthalen-1-yl)-2-(2-methoxyphenyl)naphthalene
SMILESCOc1ccccc1-c1ccc2ccccc2c1-c1c(Br)ccc2ccccc12
InChIInChI=1S/C27H19BrO/c1-29-25-13-7-6-12-22(25)23-16-14-18-8-2-4-10-20(18)26(23)27-21-11-5-3-9-19(21)15-17-24(27)28/h2-17H,1H3
InChIKeyXRBAJRQAXPGMPW-UHFFFAOYSA-N
XLogP8.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.35
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2-methoxyphenyl)phenyl]naphthalene
CID 175027379
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
2-bromo-1-naphthalen-1-ylnaphthalene
CID 620109
1-(2-bromo-6-fluorophenyl)-2-methoxynaphthalene
CID 165084325
2-(2-bromonaphthalen-1-yl)phenol
CID 122642120
1-(4-bromophenyl)-4-(2-methoxyphenyl)naphthalene
CID 102287803
2,3-difluoro-1,4-bis(2-methoxyphenyl)benzene
CID 58004087
ethane;2-(2-methylphenyl)-1-[2-(2-methylphenyl)naphthalen-1-yl]naphthalene
CID 91083814
ethane;1-(2-hydroxy-3-methoxyphenyl)naphthalen-2-ol
CID 144695247
15-tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11(16),12,14-octaenyl formate
CID 91073477
2-bromo-1-(7-bromonaphthalen-1-yl)naphthalene
CID 139178070
1-[2-(chloromethyl)phenyl]-2-methoxynaphthalene
CID 169227684

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromonaphthalen-1-yl)-2-(2-methoxyphenyl)naphthalene?
The IUPAC name of 1-(2-bromonaphthalen-1-yl)-2-(2-methoxyphenyl)naphthalene (CID 72545963) is 1-(2-bromonaphthalen-1-yl)-2-(2-methoxyphenyl)naphthalene.
What is the SMILES notation for 1-(2-bromonaphthalen-1-yl)-2-(2-methoxyphenyl)naphthalene?
The canonical SMILES for 1-(2-bromonaphthalen-1-yl)-2-(2-methoxyphenyl)naphthalene is COc1ccccc1-c1ccc2ccccc2c1-c1c(Br)ccc2ccccc12.
What is the InChIKey of 1-(2-bromonaphthalen-1-yl)-2-(2-methoxyphenyl)naphthalene?
The InChIKey is XRBAJRQAXPGMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19BrO/c1-29-25-13-7-6-12-22(25)23-16-14-18-8-2-4-10-20(18)26(23)27-21-11-5-3-9-19(21)15-17-24(27)28/h2-17H,1H3.
What are the key properties of 1-(2-bromonaphthalen-1-yl)-2-(2-methoxyphenyl)naphthalene?
1-(2-bromonaphthalen-1-yl)-2-(2-methoxyphenyl)naphthalene has a molecular weight of 439.35 g/mol, XLogP of 8.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromonaphthalen-1-yl)-2-(2-methoxyphenyl)naphthalene is sourced from PubChem (CID 72545963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).