3-benzyl-1-(3-benzyl-2-bromonaphthalen-1-yl)-2-bromonaphthalene

C34H24Br2 — CID 176915963

IUPAC3-benzyl-1-(3-benzyl-2-bromonaphthalen-1-yl)-2-bromonaphthalene
SMILESBrc1c(Cc2ccccc2)cc2ccccc2c1-c1c(Br)c(Cc2ccccc2)cc2ccccc12
InChIInChI=1S/C34H24Br2/c35-33-27(19-23-11-3-1-4-12-23)21-25-15-7-9-17-29(25)31(33)32-30-18-10-8-16-26(30)22-28(34(32)36)20-24-13-5-2-6-14-24/h1-18,21-22H,19-20H2
InChIKeyIOEIUMDAOBKTSM-UHFFFAOYSA-N
MW592.37 g/mol
LogP10.37
Rot. Bonds5

About 3-benzyl-1-(3-benzyl-2-bromonaphthalen-1-yl)-2-bromonaphthalene

3-benzyl-1-(3-benzyl-2-bromonaphthalen-1-yl)-2-bromonaphthalene (PubChem CID 176915963) has the molecular formula C34H24Br2 and a molecular weight of 592.37 g/mol. Its IUPAC name is 3-benzyl-1-(3-benzyl-2-bromonaphthalen-1-yl)-2-bromonaphthalene.

Molecular Properties

Compound Name3-benzyl-1-(3-benzyl-2-bromonaphthalen-1-yl)-2-bromonaphthalene
PubChem CID176915963
Molecular FormulaC34H24Br2
Molecular Weight592.37 g/mol
Exact Mass590.02
IUPAC Name3-benzyl-1-(3-benzyl-2-bromonaphthalen-1-yl)-2-bromonaphthalene
SMILESBrc1c(Cc2ccccc2)cc2ccccc2c1-c1c(Br)c(Cc2ccccc2)cc2ccccc12
InChIInChI=1S/C34H24Br2/c35-33-27(19-23-11-3-1-4-12-23)21-25-15-7-9-17-29(25)31(33)32-30-18-10-8-16-26(30)22-28(34(32)36)20-24-13-5-2-6-14-24/h1-18,21-22H,19-20H2
InChIKeyIOEIUMDAOBKTSM-UHFFFAOYSA-N
XLogP10.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.37
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-benzyl-1-(3-benzyl-2-bromonaphthalen-1-yl)-2-bromonaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzyl-1-(3-benzyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
CID 176909607
2,3-dibenzylnaphthalene-1-carboxylic acid
CID 141413353
azane;1-benzyl-3-methylnaphthalene
CID 174691048
1-benzylnaphthalene;N-methylmethanamine
CID 70612820
(3-benzyl-1,6-dibromonaphthalen-2-yl) hypoiodite
CID 89468148
10-benzylphenanthrene-2-carbonitrile
CID 162401077
3-benzyl-1-prop-2-enylnaphthalen-2-ol
CID 164665597
1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol
CID 67157613
2-(phenanthren-9-ylmethyl)phenanthrene
CID 161235111
10,16-bis[(4-methylphenyl)methyl]-12,14-dioxa-13λ6-thiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13,13-dioxide
CID 59155403
4-benzyl-6-methylnaphtho[2,3-b][1]benzofuran
CID 160947244
1,5-dibenzylnaphthalene;2,6-dibenzylnaphthalene
CID 123254467

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(3-benzyl-2-bromonaphthalen-1-yl)-2-bromonaphthalene?
The IUPAC name of 3-benzyl-1-(3-benzyl-2-bromonaphthalen-1-yl)-2-bromonaphthalene (CID 176915963) is 3-benzyl-1-(3-benzyl-2-bromonaphthalen-1-yl)-2-bromonaphthalene.
What is the SMILES notation for 3-benzyl-1-(3-benzyl-2-bromonaphthalen-1-yl)-2-bromonaphthalene?
The canonical SMILES for 3-benzyl-1-(3-benzyl-2-bromonaphthalen-1-yl)-2-bromonaphthalene is Brc1c(Cc2ccccc2)cc2ccccc2c1-c1c(Br)c(Cc2ccccc2)cc2ccccc12.
What is the InChIKey of 3-benzyl-1-(3-benzyl-2-bromonaphthalen-1-yl)-2-bromonaphthalene?
The InChIKey is IOEIUMDAOBKTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24Br2/c35-33-27(19-23-11-3-1-4-12-23)21-25-15-7-9-17-29(25)31(33)32-30-18-10-8-16-26(30)22-28(34(32)36)20-24-13-5-2-6-14-24/h1-18,21-22H,19-20H2.
What are the key properties of 3-benzyl-1-(3-benzyl-2-bromonaphthalen-1-yl)-2-bromonaphthalene?
3-benzyl-1-(3-benzyl-2-bromonaphthalen-1-yl)-2-bromonaphthalene has a molecular weight of 592.37 g/mol, XLogP of 10.37, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(3-benzyl-2-bromonaphthalen-1-yl)-2-bromonaphthalene is sourced from PubChem (CID 176915963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).