5-bromo-2-[3H-inden-1-yl(1H-indol-3-yl)methyl]phenol

C24H18BrNO — CID 163425608

IUPAC5-bromo-2-[3H-inden-1-yl(1H-indol-3-yl)methyl]phenol
SMILESOc1cc(Br)ccc1C(C1=CCc2ccccc21)c1c[nH]c2ccccc12
InChIInChI=1S/C24H18BrNO/c25-16-10-12-20(23(27)13-16)24(19-11-9-15-5-1-2-6-17(15)19)21-14-26-22-8-4-3-7-18(21)22/h1-8,10-14,24,26-27H,9H2
InChIKeyZFFBCMSGBREDNV-UHFFFAOYSA-N
MW416.32 g/mol
LogP6.41
Rot. Bonds3

About 5-bromo-2-[3H-inden-1-yl(1H-indol-3-yl)methyl]phenol

5-bromo-2-[3H-inden-1-yl(1H-indol-3-yl)methyl]phenol (PubChem CID 163425608) has the molecular formula C24H18BrNO and a molecular weight of 416.32 g/mol. Its IUPAC name is 5-bromo-2-[3H-inden-1-yl(1H-indol-3-yl)methyl]phenol.

Molecular Properties

Compound Name5-bromo-2-[3H-inden-1-yl(1H-indol-3-yl)methyl]phenol
PubChem CID163425608
Molecular FormulaC24H18BrNO
Molecular Weight416.32 g/mol
Exact Mass415.06
IUPAC Name5-bromo-2-[3H-inden-1-yl(1H-indol-3-yl)methyl]phenol
SMILESOc1cc(Br)ccc1C(C1=CCc2ccccc21)c1c[nH]c2ccccc12
InChIInChI=1S/C24H18BrNO/c25-16-10-12-20(23(27)13-16)24(19-11-9-15-5-1-2-6-17(15)19)21-14-26-22-8-4-3-7-18(21)22/h1-8,10-14,24,26-27H,9H2
InChIKeyZFFBCMSGBREDNV-UHFFFAOYSA-N
XLogP6.41
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.32
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3H-inden-1-yl(1H-indol-3-yl)methyl]-1H-indole
CID 157471669
3-[1H-imidazol-2-yl(3H-inden-1-yl)methyl]-1H-indole
CID 163911567
4-[3H-inden-1-yl(1H-indol-3-yl)methyl]benzaldehyde
CID 159608053
2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]phenol
CID 172711246
6-bromo-1-[1H-indol-3-yl(phenyl)methyl]naphthalen-2-ol
CID 132544935
3-[9H-fluoren-2-yl(1H-indol-3-yl)methyl]-1H-indole
CID 139526334
5-bromo-3-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1H-indole
CID 78321201
2,4-dibromo-6-[1H-indol-3-yl(phenyl)methyl]phenol
CID 172802738
(NZ)-N-[1-(4-bromophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine
CID 85469647
2-[bis(1H-indol-3-yl)methyl]benzaldehyde
CID 100950087
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
4-[anilino(1H-indol-3-yl)methyl]benzene-1,3-diol
CID 110453239

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[3H-inden-1-yl(1H-indol-3-yl)methyl]phenol?
The IUPAC name of 5-bromo-2-[3H-inden-1-yl(1H-indol-3-yl)methyl]phenol (CID 163425608) is 5-bromo-2-[3H-inden-1-yl(1H-indol-3-yl)methyl]phenol.
What is the SMILES notation for 5-bromo-2-[3H-inden-1-yl(1H-indol-3-yl)methyl]phenol?
The canonical SMILES for 5-bromo-2-[3H-inden-1-yl(1H-indol-3-yl)methyl]phenol is Oc1cc(Br)ccc1C(C1=CCc2ccccc21)c1c[nH]c2ccccc12.
What is the InChIKey of 5-bromo-2-[3H-inden-1-yl(1H-indol-3-yl)methyl]phenol?
The InChIKey is ZFFBCMSGBREDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrNO/c25-16-10-12-20(23(27)13-16)24(19-11-9-15-5-1-2-6-17(15)19)21-14-26-22-8-4-3-7-18(21)22/h1-8,10-14,24,26-27H,9H2.
What are the key properties of 5-bromo-2-[3H-inden-1-yl(1H-indol-3-yl)methyl]phenol?
5-bromo-2-[3H-inden-1-yl(1H-indol-3-yl)methyl]phenol has a molecular weight of 416.32 g/mol, XLogP of 6.41, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[3H-inden-1-yl(1H-indol-3-yl)methyl]phenol is sourced from PubChem (CID 163425608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).