1,2-dibromo-3,8-diphenyl-1,2-dihydrocyclobuta[b]naphthalene

C24H16Br2 — CID 4131074

IUPAC1,2-dibromo-3,8-diphenyl-1,2-dihydrocyclobuta[b]naphthalene
SMILESBrC1c2c(c(-c3ccccc3)c3ccccc3c2-c2ccccc2)C1Br
InChIInChI=1S/C24H16Br2/c25-23-21-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22(21)24(23)26)16-11-5-2-6-12-16/h1-14,23-24H
InChIKeyNGHBLUNTZGEMET-UHFFFAOYSA-N
MW464.20 g/mol
LogP8.06
Rot. Bonds2

About 1,2-dibromo-3,8-diphenyl-1,2-dihydrocyclobuta[b]naphthalene

1,2-dibromo-3,8-diphenyl-1,2-dihydrocyclobuta[b]naphthalene (PubChem CID 4131074) has the molecular formula C24H16Br2 and a molecular weight of 464.20 g/mol. Its IUPAC name is 1,2-dibromo-3,8-diphenyl-1,2-dihydrocyclobuta[b]naphthalene.

Molecular Properties

Compound Name1,2-dibromo-3,8-diphenyl-1,2-dihydrocyclobuta[b]naphthalene
PubChem CID4131074
Molecular FormulaC24H16Br2
Molecular Weight464.20 g/mol
Exact Mass461.96
IUPAC Name1,2-dibromo-3,8-diphenyl-1,2-dihydrocyclobuta[b]naphthalene
SMILESBrC1c2c(c(-c3ccccc3)c3ccccc3c2-c2ccccc2)C1Br
InChIInChI=1S/C24H16Br2/c25-23-21-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22(21)24(23)26)16-11-5-2-6-12-16/h1-14,23-24H
InChIKeyNGHBLUNTZGEMET-UHFFFAOYSA-N
XLogP8.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.20
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene
CID 11834975
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
ethane;5,6,11,12-tetraphenyltetracene
CID 91142519
2,3-dibromo-4-phenylnaphthalen-1-ol
CID 12675705
(1S,12R,13S,24R)-12,24-dibromo-10,22-diphenyl-25-thia-3,15-diazahexacyclo[11.11.1.02,11.04,9.014,23.016,21]pentacosa-2,4,6,8,10,14,16,18,20,22-decaene
CID 139194582
2-bromo-4-chloro-1-phenylnaphthalene
CID 167008767
9-(3,5-dimethylphenyl)-10-phenylanthracene
CID 170561654
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
9-iodo-10-phenylanthracene
CID 14958373
2-bromo-9,10-diphenylanthracene
CID 22247163
9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339
9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene
CID 143856164

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-3,8-diphenyl-1,2-dihydrocyclobuta[b]naphthalene?
The IUPAC name of 1,2-dibromo-3,8-diphenyl-1,2-dihydrocyclobuta[b]naphthalene (CID 4131074) is 1,2-dibromo-3,8-diphenyl-1,2-dihydrocyclobuta[b]naphthalene.
What is the SMILES notation for 1,2-dibromo-3,8-diphenyl-1,2-dihydrocyclobuta[b]naphthalene?
The canonical SMILES for 1,2-dibromo-3,8-diphenyl-1,2-dihydrocyclobuta[b]naphthalene is BrC1c2c(c(-c3ccccc3)c3ccccc3c2-c2ccccc2)C1Br.
What is the InChIKey of 1,2-dibromo-3,8-diphenyl-1,2-dihydrocyclobuta[b]naphthalene?
The InChIKey is NGHBLUNTZGEMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Br2/c25-23-21-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22(21)24(23)26)16-11-5-2-6-12-16/h1-14,23-24H.
What are the key properties of 1,2-dibromo-3,8-diphenyl-1,2-dihydrocyclobuta[b]naphthalene?
1,2-dibromo-3,8-diphenyl-1,2-dihydrocyclobuta[b]naphthalene has a molecular weight of 464.20 g/mol, XLogP of 8.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-3,8-diphenyl-1,2-dihydrocyclobuta[b]naphthalene is sourced from PubChem (CID 4131074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).