5-bromo-4a,7,8,12c-tetrahydrobenzo[c]phenanthrene

C18H15Br — CID 144726276

IUPAC5-bromo-4a,7,8,12c-tetrahydrobenzo[c]phenanthrene
SMILESBrC1=CC2=C(c3ccccc3CC2)C2C=CC=CC12
InChIInChI=1S/C18H15Br/c19-17-11-13-10-9-12-5-1-2-6-14(12)18(13)16-8-4-3-7-15(16)17/h1-8,11,15-16H,9-10H2
InChIKeyTYZIKFSFRQGFJQ-UHFFFAOYSA-N
MW311.22 g/mol
LogP5.04
Rot. Bonds

About 5-bromo-4a,7,8,12c-tetrahydrobenzo[c]phenanthrene

5-bromo-4a,7,8,12c-tetrahydrobenzo[c]phenanthrene (PubChem CID 144726276) has the molecular formula C18H15Br and a molecular weight of 311.22 g/mol. Its IUPAC name is 5-bromo-4a,7,8,12c-tetrahydrobenzo[c]phenanthrene.

Molecular Properties

Compound Name5-bromo-4a,7,8,12c-tetrahydrobenzo[c]phenanthrene
PubChem CID144726276
Molecular FormulaC18H15Br
Molecular Weight311.22 g/mol
Exact Mass310.04
IUPAC Name5-bromo-4a,7,8,12c-tetrahydrobenzo[c]phenanthrene
SMILESBrC1=CC2=C(c3ccccc3CC2)C2C=CC=CC12
InChIInChI=1S/C18H15Br/c19-17-11-13-10-9-12-5-1-2-6-14(12)18(13)16-8-4-3-7-15(16)17/h1-8,11,15-16H,9-10H2
InChIKeyTYZIKFSFRQGFJQ-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.22
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
9,10-dihydrophenanthrene;ethane
CID 143759681
2,3-dihydroinden-1-ylidenezirconium(2+)
CID 162023377
9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene
CID 168834157
7-methyl-8,9-dihydrobenzo[7]annulen-5-one
CID 25023067
4-bromo-3-methyl-1,2-dihydronaphthalene
CID 12009186
4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)naphthalen-1-one
CID 11404863
4a,8a-dihydronaphthalene-1,4-dione;naphthalene-1,4-dione
CID 158641233
2-[10-(1,3-dithiol-2-ylidene)-4a,9a-dihydroanthracen-9-ylidene]-1,3-dithiole
CID 162419128
1-bromo-9,10-dihydrophenanthrene
CID 147917753
(4aS,9aR)-9a,10-dihydro-4aH-anthracen-9-one
CID 7057091

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4a,7,8,12c-tetrahydrobenzo[c]phenanthrene?
The IUPAC name of 5-bromo-4a,7,8,12c-tetrahydrobenzo[c]phenanthrene (CID 144726276) is 5-bromo-4a,7,8,12c-tetrahydrobenzo[c]phenanthrene.
What is the SMILES notation for 5-bromo-4a,7,8,12c-tetrahydrobenzo[c]phenanthrene?
The canonical SMILES for 5-bromo-4a,7,8,12c-tetrahydrobenzo[c]phenanthrene is BrC1=CC2=C(c3ccccc3CC2)C2C=CC=CC12.
What is the InChIKey of 5-bromo-4a,7,8,12c-tetrahydrobenzo[c]phenanthrene?
The InChIKey is TYZIKFSFRQGFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Br/c19-17-11-13-10-9-12-5-1-2-6-14(12)18(13)16-8-4-3-7-15(16)17/h1-8,11,15-16H,9-10H2.
What are the key properties of 5-bromo-4a,7,8,12c-tetrahydrobenzo[c]phenanthrene?
5-bromo-4a,7,8,12c-tetrahydrobenzo[c]phenanthrene has a molecular weight of 311.22 g/mol, XLogP of 5.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4a,7,8,12c-tetrahydrobenzo[c]phenanthrene is sourced from PubChem (CID 144726276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).