2-(bromomethyl)-1-[2-(bromomethyl)-3-(4-phenylphenyl)naphthalen-1-yl]-3-(4-phenylphenyl)naphthalene

C46H32Br2 — CID 58898275

IUPAC2-(bromomethyl)-1-[2-(bromomethyl)-3-(4-phenylphenyl)naphthalen-1-yl]-3-(4-phenylphenyl)naphthalene
SMILESBrCc1c(-c2ccc(-c3ccccc3)cc2)cc2ccccc2c1-c1c(CBr)c(-c2ccc(-c3ccccc3)cc2)cc2ccccc12
InChIInChI=1S/C46H32Br2/c47-29-43-41(35-23-19-33(20-24-35)31-11-3-1-4-12-31)27-37-15-7-9-17-39(37)45(43)46-40-18-10-8-16-38(40)28-42(44(46)30-48)36-25-21-34(22-26-36)32-13-5-2-6-14-32/h1-28H,29-30H2
InChIKeyPNBUMUHNJKCKEW-UHFFFAOYSA-N
MW744.57 g/mol
LogP14.12
Rot. Bonds7

About 2-(bromomethyl)-1-[2-(bromomethyl)-3-(4-phenylphenyl)naphthalen-1-yl]-3-(4-phenylphenyl)naphthalene

2-(bromomethyl)-1-[2-(bromomethyl)-3-(4-phenylphenyl)naphthalen-1-yl]-3-(4-phenylphenyl)naphthalene (PubChem CID 58898275) has the molecular formula C46H32Br2 and a molecular weight of 744.57 g/mol. Its IUPAC name is 2-(bromomethyl)-1-[2-(bromomethyl)-3-(4-phenylphenyl)naphthalen-1-yl]-3-(4-phenylphenyl)naphthalene.

Molecular Properties

Compound Name2-(bromomethyl)-1-[2-(bromomethyl)-3-(4-phenylphenyl)naphthalen-1-yl]-3-(4-phenylphenyl)naphthalene
PubChem CID58898275
Molecular FormulaC46H32Br2
Molecular Weight744.57 g/mol
Exact Mass742.09
IUPAC Name2-(bromomethyl)-1-[2-(bromomethyl)-3-(4-phenylphenyl)naphthalen-1-yl]-3-(4-phenylphenyl)naphthalene
SMILESBrCc1c(-c2ccc(-c3ccccc3)cc2)cc2ccccc2c1-c1c(CBr)c(-c2ccc(-c3ccccc3)cc2)cc2ccccc12
InChIInChI=1S/C46H32Br2/c47-29-43-41(35-23-19-33(20-24-35)31-11-3-1-4-12-31)27-37-15-7-9-17-39(37)45(43)46-40-18-10-8-16-38(40)28-42(44(46)30-48)36-25-21-34(22-26-36)32-13-5-2-6-14-32/h1-28H,29-30H2
InChIKeyPNBUMUHNJKCKEW-UHFFFAOYSA-N
XLogP14.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.57
LogP ≤ 514.12
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-(4-methylphenyl)-1,2-diphenylnaphthalene
CID 178068265
dilithium;1-(2-oxido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate
CID 52936759
2-chloro-1,3-diphenylnaphthalene
CID 12697982
[1-[2-(diphenylphosphanylmethyl)-3-phenylnaphthalen-1-yl]-3-phenylnaphthalen-2-yl]methyl-diphenylphosphane;tetrakis(2-ethyl-1-(2-ethyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalene)
CID 162119112
9-(6,7-diphenylnaphthalen-2-yl)-10-phenanthren-2-ylanthracene
CID 91535853
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 144568905
9-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123523837
12,12-dihydroxy-10,14-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;hydrate
CID 139037456
10-naphthalen-2-yl-1-(4-phenylphenyl)anthracene
CID 173141630
2-(4-phenanthren-9-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150845
13-methyl-10,16-bis(4-phenylphenyl)-12,14-dioxa-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 135083340
9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58323001

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-[2-(bromomethyl)-3-(4-phenylphenyl)naphthalen-1-yl]-3-(4-phenylphenyl)naphthalene?
The IUPAC name of 2-(bromomethyl)-1-[2-(bromomethyl)-3-(4-phenylphenyl)naphthalen-1-yl]-3-(4-phenylphenyl)naphthalene (CID 58898275) is 2-(bromomethyl)-1-[2-(bromomethyl)-3-(4-phenylphenyl)naphthalen-1-yl]-3-(4-phenylphenyl)naphthalene.
What is the SMILES notation for 2-(bromomethyl)-1-[2-(bromomethyl)-3-(4-phenylphenyl)naphthalen-1-yl]-3-(4-phenylphenyl)naphthalene?
The canonical SMILES for 2-(bromomethyl)-1-[2-(bromomethyl)-3-(4-phenylphenyl)naphthalen-1-yl]-3-(4-phenylphenyl)naphthalene is BrCc1c(-c2ccc(-c3ccccc3)cc2)cc2ccccc2c1-c1c(CBr)c(-c2ccc(-c3ccccc3)cc2)cc2ccccc12.
What is the InChIKey of 2-(bromomethyl)-1-[2-(bromomethyl)-3-(4-phenylphenyl)naphthalen-1-yl]-3-(4-phenylphenyl)naphthalene?
The InChIKey is PNBUMUHNJKCKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32Br2/c47-29-43-41(35-23-19-33(20-24-35)31-11-3-1-4-12-31)27-37-15-7-9-17-39(37)45(43)46-40-18-10-8-16-38(40)28-42(44(46)30-48)36-25-21-34(22-26-36)32-13-5-2-6-14-32/h1-28H,29-30H2.
What are the key properties of 2-(bromomethyl)-1-[2-(bromomethyl)-3-(4-phenylphenyl)naphthalen-1-yl]-3-(4-phenylphenyl)naphthalene?
2-(bromomethyl)-1-[2-(bromomethyl)-3-(4-phenylphenyl)naphthalen-1-yl]-3-(4-phenylphenyl)naphthalene has a molecular weight of 744.57 g/mol, XLogP of 14.12, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-[2-(bromomethyl)-3-(4-phenylphenyl)naphthalen-1-yl]-3-(4-phenylphenyl)naphthalene is sourced from PubChem (CID 58898275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).