6-bromo-1-[1H-indol-3-yl(phenyl)methyl]naphthalen-2-ol

C25H18BrNO — CID 132544935

IUPAC6-bromo-1-[1H-indol-3-yl(phenyl)methyl]naphthalen-2-ol
SMILESOc1ccc2cc(Br)ccc2c1C(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C25H18BrNO/c26-18-11-12-19-17(14-18)10-13-23(28)25(19)24(16-6-2-1-3-7-16)21-15-27-22-9-5-4-8-20(21)22/h1-15,24,27-28H
InChIKeyNXJDMUSQCPXZCT-UHFFFAOYSA-N
MW428.33 g/mol
LogP6.97
Rot. Bonds3

About 6-bromo-1-[1H-indol-3-yl(phenyl)methyl]naphthalen-2-ol

6-bromo-1-[1H-indol-3-yl(phenyl)methyl]naphthalen-2-ol (PubChem CID 132544935) has the molecular formula C25H18BrNO and a molecular weight of 428.33 g/mol. Its IUPAC name is 6-bromo-1-[1H-indol-3-yl(phenyl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-1-[1H-indol-3-yl(phenyl)methyl]naphthalen-2-ol
PubChem CID132544935
Molecular FormulaC25H18BrNO
Molecular Weight428.33 g/mol
Exact Mass427.06
IUPAC Name6-bromo-1-[1H-indol-3-yl(phenyl)methyl]naphthalen-2-ol
SMILESOc1ccc2cc(Br)ccc2c1C(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C25H18BrNO/c26-18-11-12-19-17(14-18)10-13-23(28)25(19)24(16-6-2-1-3-7-16)21-15-27-22-9-5-4-8-20(21)22/h1-15,24,27-28H
InChIKeyNXJDMUSQCPXZCT-UHFFFAOYSA-N
XLogP6.97
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.33
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]phenol
CID 172711246
2,4-dibromo-6-[1H-indol-3-yl(phenyl)methyl]phenol
CID 172802738
5-bromo-2-[3H-inden-1-yl(1H-indol-3-yl)methyl]phenol
CID 163425608
3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole
CID 25098654
2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]phenol
CID 172685191
3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole
CID 57468591
1-[(R)-amino-(3-bromophenyl)methyl]naphthalen-2-ol
CID 39345444
5-bromo-3-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1H-indole
CID 78321201
(2R)-2-(5-bromo-1H-indol-3-yl)-2-phenylethanol
CID 10892445
(1R,2S)-2-(5-bromo-1H-indol-3-yl)-1,2-diphenylethanol
CID 102147782
4-bromo-N-[1H-indol-3-yl(phenyl)methyl]-N-phenylbenzamide
CID 71399214
6-bromo-1-(1-hydroxypropan-2-yl)naphthalen-2-ol
CID 117451047

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[1H-indol-3-yl(phenyl)methyl]naphthalen-2-ol?
The IUPAC name of 6-bromo-1-[1H-indol-3-yl(phenyl)methyl]naphthalen-2-ol (CID 132544935) is 6-bromo-1-[1H-indol-3-yl(phenyl)methyl]naphthalen-2-ol.
What is the SMILES notation for 6-bromo-1-[1H-indol-3-yl(phenyl)methyl]naphthalen-2-ol?
The canonical SMILES for 6-bromo-1-[1H-indol-3-yl(phenyl)methyl]naphthalen-2-ol is Oc1ccc2cc(Br)ccc2c1C(c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of 6-bromo-1-[1H-indol-3-yl(phenyl)methyl]naphthalen-2-ol?
The InChIKey is NXJDMUSQCPXZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrNO/c26-18-11-12-19-17(14-18)10-13-23(28)25(19)24(16-6-2-1-3-7-16)21-15-27-22-9-5-4-8-20(21)22/h1-15,24,27-28H.
What are the key properties of 6-bromo-1-[1H-indol-3-yl(phenyl)methyl]naphthalen-2-ol?
6-bromo-1-[1H-indol-3-yl(phenyl)methyl]naphthalen-2-ol has a molecular weight of 428.33 g/mol, XLogP of 6.97, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[1H-indol-3-yl(phenyl)methyl]naphthalen-2-ol is sourced from PubChem (CID 132544935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).