1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)naphthalene

C16H12Br2 — CID 121478725

IUPAC1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)naphthalene
SMILESBrC1=CC=C(c2ccc(Br)c3ccccc23)CC1
InChIInChI=1S/C16H12Br2/c17-12-7-5-11(6-8-12)13-9-10-16(18)15-4-2-1-3-14(13)15/h1-5,7,9-10H,6,8H2
InChIKeyCXVFFBQSMCJULT-UHFFFAOYSA-N
MW364.08 g/mol
LogP6.06
Rot. Bonds1

About 1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)naphthalene

1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)naphthalene (PubChem CID 121478725) has the molecular formula C16H12Br2 and a molecular weight of 364.08 g/mol. Its IUPAC name is 1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)naphthalene.

Molecular Properties

Compound Name1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)naphthalene
PubChem CID121478725
Molecular FormulaC16H12Br2
Molecular Weight364.08 g/mol
Exact Mass361.93
IUPAC Name1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)naphthalene
SMILESBrC1=CC=C(c2ccc(Br)c3ccccc23)CC1
InChIInChI=1S/C16H12Br2/c17-12-7-5-11(6-8-12)13-9-10-16(18)15-4-2-1-3-14(13)15/h1-5,7,9-10H,6,8H2
InChIKeyCXVFFBQSMCJULT-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.08
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene
CID 4530279
1,4-dibromonaphthalene
CID 162208061
CID 88870084
CID 88870084
4-(4-bromonaphthalen-1-yl)pyridine
CID 71248544
1-bromo-4-(4-iodophenyl)naphthalene
CID 58161324
10-(4-bromocyclohexa-1,3-dien-1-yl)benzo[h]quinoline
CID 153391148
4-bromonaphthalen-1-ol
CID 575609
2,4-bis(4-bromonaphthalen-1-yl)-6-chloro-1,3,5-triazine
CID 129258763
6-[10-(4-bromonaphthalen-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 134593681
1-bromo-4-[(4-bromonaphthalen-1-yl)methyl]naphthalene
CID 59060546
1-bromo-4-iodonaphthalene;1,4-dibromonaphthalene;oxolane
CID 159480954
1-[(4-bromonaphthalen-1-yl)methyl]pyrrolidine
CID 171127320

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)naphthalene?
The IUPAC name of 1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)naphthalene (CID 121478725) is 1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)naphthalene.
What is the SMILES notation for 1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)naphthalene?
The canonical SMILES for 1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)naphthalene is BrC1=CC=C(c2ccc(Br)c3ccccc23)CC1.
What is the InChIKey of 1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)naphthalene?
The InChIKey is CXVFFBQSMCJULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2/c17-12-7-5-11(6-8-12)13-9-10-16(18)15-4-2-1-3-14(13)15/h1-5,7,9-10H,6,8H2.
What are the key properties of 1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)naphthalene?
1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)naphthalene has a molecular weight of 364.08 g/mol, XLogP of 6.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)naphthalene is sourced from PubChem (CID 121478725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).