2-phenyl-2,7-dihydro-as-indacene

C18H14 — CID 168781152

IUPAC2-phenyl-2,7-dihydro-as-indacene
SMILESC1=c2ccc3c(c2=CC1)=CC(c1ccccc1)C=3
InChIInChI=1S/C18H14/c1-2-5-13(6-3-1)16-11-15-10-9-14-7-4-8-17(14)18(15)12-16/h1-3,5-12,16H,4H2
InChIKeyYZTGGYHOHNPTLF-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.01
Rot. Bonds1

About 2-phenyl-2,7-dihydro-as-indacene

2-phenyl-2,7-dihydro-as-indacene (PubChem CID 168781152) has the molecular formula C18H14 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-phenyl-2,7-dihydro-as-indacene.

Molecular Properties

Compound Name2-phenyl-2,7-dihydro-as-indacene
PubChem CID168781152
Molecular FormulaC18H14
Molecular Weight230.31 g/mol
Exact Mass230.11
IUPAC Name2-phenyl-2,7-dihydro-as-indacene
SMILESC1=c2ccc3c(c2=CC1)=CC(c1ccccc1)C=3
InChIInChI=1S/C18H14/c1-2-5-13(6-3-1)16-11-15-10-9-14-7-4-8-17(14)18(15)12-16/h1-3,5-12,16H,4H2
InChIKeyYZTGGYHOHNPTLF-UHFFFAOYSA-N
XLogP1.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 24940237
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cyclopenta-2,4-dien-1-ylbenzene
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2-phenyloxirane
CID 7276
2,6-diphenylmorpholine
CID 43381979
CID 135078327
CID 135078327
1,5-ditert-butyl-6-methylidene-3-phenylcyclohexa-1,4-diene
CID 152681707
benzene;cyclopropylbenzene
CID 144638417
N,N-dimethyl-4-phenylcyclohexa-2,5-dien-1-amine
CID 173163719
1-fluoro-4-phenylpiperidine
CID 143940552
ethane;2-phenyloxirane
CID 54171856

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2,7-dihydro-as-indacene?
The IUPAC name of 2-phenyl-2,7-dihydro-as-indacene (CID 168781152) is 2-phenyl-2,7-dihydro-as-indacene.
What is the SMILES notation for 2-phenyl-2,7-dihydro-as-indacene?
The canonical SMILES for 2-phenyl-2,7-dihydro-as-indacene is C1=c2ccc3c(c2=CC1)=CC(c1ccccc1)C=3.
What is the InChIKey of 2-phenyl-2,7-dihydro-as-indacene?
The InChIKey is YZTGGYHOHNPTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14/c1-2-5-13(6-3-1)16-11-15-10-9-14-7-4-8-17(14)18(15)12-16/h1-3,5-12,16H,4H2.
What are the key properties of 2-phenyl-2,7-dihydro-as-indacene?
2-phenyl-2,7-dihydro-as-indacene has a molecular weight of 230.31 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2,7-dihydro-as-indacene is sourced from PubChem (CID 168781152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).