1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene

C19H14Br2 — CID 5083697

IUPAC1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene
SMILESBrc1ccc(C(c2ccccc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H14Br2/c20-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(21)13-9-16/h1-13,19H
InChIKeyDDKFHYIBYMDVII-UHFFFAOYSA-N
MW402.13 g/mol
LogP6.39
Rot. Bonds3

About 1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene

1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene (PubChem CID 5083697) has the molecular formula C19H14Br2 and a molecular weight of 402.13 g/mol. Its IUPAC name is 1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene
PubChem CID5083697
Molecular FormulaC19H14Br2
Molecular Weight402.13 g/mol
Exact Mass399.95
IUPAC Name1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene
SMILESBrc1ccc(C(c2ccccc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H14Br2/c20-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(21)13-9-16/h1-13,19H
InChIKeyDDKFHYIBYMDVII-UHFFFAOYSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.13
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(S)-(4-bromophenyl)-phenylmethanol
CID 778571
lithium benzhydrylbenzene
CID 18381038
azane;benzhydrylbenzene
CID 70581647
2-[(4-bromophenyl)-(2-hydroxyphenyl)methyl]phenol
CID 141163589
1-bromo-4-[(2S,3R)-1,3-dichloro-2,3-diphenylpropyl]benzene
CID 11611484
1,4-bis(4-benzhydrylphenyl)benzene;ethane
CID 159665111
1-iodo-4-[(4-iodophenyl)-phenylmethyl]benzene
CID 138659961
1-benzhydryl-4-chlorobenzene
CID 13050205
(S)-(4-bromophenyl)-phenylmethanol;carbon monoxide;chromium
CID 10873031
1-[4-[(4-bromophenyl)-phenylmethyl]phenyl]thianthrene
CID 153290311
bromo(113C)cyclohexatriene
CID 11094888
bromo(413C)cyclohexatriene
CID 66995401

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene?
The IUPAC name of 1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene (CID 5083697) is 1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene.
What is the SMILES notation for 1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene?
The canonical SMILES for 1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene is Brc1ccc(C(c2ccccc2)c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene?
The InChIKey is DDKFHYIBYMDVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Br2/c20-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(21)13-9-16/h1-13,19H.
What are the key properties of 1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene?
1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene has a molecular weight of 402.13 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene is sourced from PubChem (CID 5083697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).