1-(1H-inden-4-yl)phenanthrene

C23H16 — CID 174767393

IUPAC1-(1H-inden-4-yl)phenanthrene
SMILESC1=Cc2c(cccc2-c2cccc3c2ccc2ccccc23)C1
InChIInChI=1S/C23H16/c1-2-9-18-17(6-1)14-15-23-21(18)12-5-13-22(23)20-11-4-8-16-7-3-10-19(16)20/h1-6,8-15H,7H2
InChIKeyFVRKWWUBGMEJMG-UHFFFAOYSA-N
MW292.38 g/mol
LogP6.23
Rot. Bonds1

About 1-(1H-inden-4-yl)phenanthrene

1-(1H-inden-4-yl)phenanthrene (PubChem CID 174767393) has the molecular formula C23H16 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(1H-inden-4-yl)phenanthrene.

Molecular Properties

Compound Name1-(1H-inden-4-yl)phenanthrene
PubChem CID174767393
Molecular FormulaC23H16
Molecular Weight292.38 g/mol
Exact Mass292.13
IUPAC Name1-(1H-inden-4-yl)phenanthrene
SMILESC1=Cc2c(cccc2-c2cccc3c2ccc2ccccc23)C1
InChIInChI=1S/C23H16/c1-2-9-18-17(6-1)14-15-23-21(18)12-5-13-22(23)20-11-4-8-16-7-3-10-19(16)20/h1-6,8-15H,7H2
InChIKeyFVRKWWUBGMEJMG-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-(1H-inden-4-yl)-2-methylnaphthalene
CID 57037744
pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5,7,9,12,14,16,19-decaene
CID 12054520
lithium;hydride;4-(2-methylphenyl)-1H-indene
CID 175034488
1-diazo-2H-chrysene
CID 154175464
9,10-dihydrophenanthrene;phenanthrene
CID 159340402
15H-cyclopenta[a]phenanthrene;methane
CID 158927443
4-(3,5-diphenylphenyl)-1H-indene
CID 22471910
chrysene;iron
CID 157379031
benzene;tetrakis(3H-cyclopenta[a]naphthalene);tetrakis(2,3-dihydro-1H-cyclopenta[a]naphthalene);bis(indene-1,3-dione);methane;naphthalene;phenanthrene
CID 158530675
5-(5,6-dihydronaphthalen-1-yl)-1,2-dihydronaphthalene;5-(5,8-dihydronaphthalen-1-yl)-1,4-dihydronaphthalene;8-(7,8-dihydronaphthalen-1-yl)-1,2-dihydronaphthalene;1-naphthalen-1-ylnaphthalene;1-(5,6,7,8-tetrahydronaphthalen-1-yl)naphthalene;5-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene
CID 159953574
4-benzo[a]anthracen-7-yl-2-(5,6-dihydronaphthalen-1-yl)benzenethiol
CID 167274212
carbanide;1-cyclopenta-1,4-dien-1-ylphenanthrene;platinum(4+)
CID 22129003

Frequently Asked Questions

What is the IUPAC name of 1-(1H-inden-4-yl)phenanthrene?
The IUPAC name of 1-(1H-inden-4-yl)phenanthrene (CID 174767393) is 1-(1H-inden-4-yl)phenanthrene.
What is the SMILES notation for 1-(1H-inden-4-yl)phenanthrene?
The canonical SMILES for 1-(1H-inden-4-yl)phenanthrene is C1=Cc2c(cccc2-c2cccc3c2ccc2ccccc23)C1.
What is the InChIKey of 1-(1H-inden-4-yl)phenanthrene?
The InChIKey is FVRKWWUBGMEJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16/c1-2-9-18-17(6-1)14-15-23-21(18)12-5-13-22(23)20-11-4-8-16-7-3-10-19(16)20/h1-6,8-15H,7H2.
What are the key properties of 1-(1H-inden-4-yl)phenanthrene?
1-(1H-inden-4-yl)phenanthrene has a molecular weight of 292.38 g/mol, XLogP of 6.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-inden-4-yl)phenanthrene is sourced from PubChem (CID 174767393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).