2-[3-[3-[3-[3,4-bis(ethenyl)phenyl]-5-bromophenyl]phenyl]-5-bromophenyl]naphthalene

C38H26Br2 — CID 143743019

IUPAC2-[3-[3-[3-[3,4-bis(ethenyl)phenyl]-5-bromophenyl]phenyl]-5-bromophenyl]naphthalene
SMILESC=Cc1ccc(-c2cc(Br)cc(-c3cccc(-c4cc(Br)cc(-c5ccc6ccccc6c5)c4)c3)c2)cc1C=C
InChIInChI=1S/C38H26Br2/c1-3-25-12-14-31(16-26(25)4-2)35-19-33(21-37(39)23-35)29-10-7-11-30(18-29)34-20-36(24-38(40)22-34)32-15-13-27-8-5-6-9-28(27)17-32/h3-24H,1-2H2
InChIKeyRSPRAQOVMJQIHH-UHFFFAOYSA-N
MW642.43 g/mol
LogP12.32
Rot. Bonds6

About 2-[3-[3-[3-[3,4-bis(ethenyl)phenyl]-5-bromophenyl]phenyl]-5-bromophenyl]naphthalene

2-[3-[3-[3-[3,4-bis(ethenyl)phenyl]-5-bromophenyl]phenyl]-5-bromophenyl]naphthalene (PubChem CID 143743019) has the molecular formula C38H26Br2 and a molecular weight of 642.43 g/mol. Its IUPAC name is 2-[3-[3-[3-[3,4-bis(ethenyl)phenyl]-5-bromophenyl]phenyl]-5-bromophenyl]naphthalene.

Molecular Properties

Compound Name2-[3-[3-[3-[3,4-bis(ethenyl)phenyl]-5-bromophenyl]phenyl]-5-bromophenyl]naphthalene
PubChem CID143743019
Molecular FormulaC38H26Br2
Molecular Weight642.43 g/mol
Exact Mass640.04
IUPAC Name2-[3-[3-[3-[3,4-bis(ethenyl)phenyl]-5-bromophenyl]phenyl]-5-bromophenyl]naphthalene
SMILESC=Cc1ccc(-c2cc(Br)cc(-c3cccc(-c4cc(Br)cc(-c5ccc6ccccc6c5)c4)c3)c2)cc1C=C
InChIInChI=1S/C38H26Br2/c1-3-25-12-14-31(16-26(25)4-2)35-19-33(21-37(39)23-35)29-10-7-11-30(18-29)34-20-36(24-38(40)22-34)32-15-13-27-8-5-6-9-28(27)17-32/h3-24H,1-2H2
InChIKeyRSPRAQOVMJQIHH-UHFFFAOYSA-N
XLogP12.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.43
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[3-[3,4-bis(ethenyl)phenyl]phenyl]-9,10-dinaphthalen-2-ylanthracene
CID 143617537
N-[3-[3,4-bis(ethenyl)phenyl]-5-naphthalen-2-ylphenyl]-3,5-dinaphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 145003922
2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene
CID 143742939
2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 143886275
2-naphthalen-2-yl-7-(3-naphthalen-2-ylphenyl)phenanthrene
CID 59399010
2-(3-bromo-5-chlorophenyl)naphthalene
CID 141471222
benzo[f]azulene
CID 13065869
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene
CID 59523782
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
2-(2-ethenylphenyl)anthracene
CID 19426140
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3-[3,4-bis(ethenyl)phenyl]-5-bromophenyl]phenyl]-5-bromophenyl]naphthalene?
The IUPAC name of 2-[3-[3-[3-[3,4-bis(ethenyl)phenyl]-5-bromophenyl]phenyl]-5-bromophenyl]naphthalene (CID 143743019) is 2-[3-[3-[3-[3,4-bis(ethenyl)phenyl]-5-bromophenyl]phenyl]-5-bromophenyl]naphthalene.
What is the SMILES notation for 2-[3-[3-[3-[3,4-bis(ethenyl)phenyl]-5-bromophenyl]phenyl]-5-bromophenyl]naphthalene?
The canonical SMILES for 2-[3-[3-[3-[3,4-bis(ethenyl)phenyl]-5-bromophenyl]phenyl]-5-bromophenyl]naphthalene is C=Cc1ccc(-c2cc(Br)cc(-c3cccc(-c4cc(Br)cc(-c5ccc6ccccc6c5)c4)c3)c2)cc1C=C.
What is the InChIKey of 2-[3-[3-[3-[3,4-bis(ethenyl)phenyl]-5-bromophenyl]phenyl]-5-bromophenyl]naphthalene?
The InChIKey is RSPRAQOVMJQIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26Br2/c1-3-25-12-14-31(16-26(25)4-2)35-19-33(21-37(39)23-35)29-10-7-11-30(18-29)34-20-36(24-38(40)22-34)32-15-13-27-8-5-6-9-28(27)17-32/h3-24H,1-2H2.
What are the key properties of 2-[3-[3-[3-[3,4-bis(ethenyl)phenyl]-5-bromophenyl]phenyl]-5-bromophenyl]naphthalene?
2-[3-[3-[3-[3,4-bis(ethenyl)phenyl]-5-bromophenyl]phenyl]-5-bromophenyl]naphthalene has a molecular weight of 642.43 g/mol, XLogP of 12.32, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[3-[3,4-bis(ethenyl)phenyl]-5-bromophenyl]phenyl]-5-bromophenyl]naphthalene is sourced from PubChem (CID 143743019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).