2-(phenanthren-9-ylmethyl)phenanthrene

C29H20 — CID 161235111

IUPAC2-(phenanthren-9-ylmethyl)phenanthrene
SMILESc1ccc2c(c1)ccc1cc(Cc3cc4ccccc4c4ccccc34)ccc12
InChIInChI=1S/C29H20/c1-3-9-25-21(7-1)14-15-23-17-20(13-16-28(23)25)18-24-19-22-8-2-4-10-26(22)29-12-6-5-11-27(24)29/h1-17,19H,18H2
InChIKeyARGJIOIHWWALKO-UHFFFAOYSA-N
MW368.48 g/mol
LogP7.89
Rot. Bonds2

About 2-(phenanthren-9-ylmethyl)phenanthrene

2-(phenanthren-9-ylmethyl)phenanthrene (PubChem CID 161235111) has the molecular formula C29H20 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(phenanthren-9-ylmethyl)phenanthrene.

Molecular Properties

Compound Name2-(phenanthren-9-ylmethyl)phenanthrene
PubChem CID161235111
Molecular FormulaC29H20
Molecular Weight368.48 g/mol
Exact Mass368.16
IUPAC Name2-(phenanthren-9-ylmethyl)phenanthrene
SMILESc1ccc2c(c1)ccc1cc(Cc3cc4ccccc4c4ccccc34)ccc12
InChIInChI=1S/C29H20/c1-3-9-25-21(7-1)14-15-23-17-20(13-16-28(23)25)18-24-19-22-8-2-4-10-26(22)29-12-6-5-11-27(24)29/h1-17,19H,18H2
InChIKeyARGJIOIHWWALKO-UHFFFAOYSA-N
XLogP7.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 57.89
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

3-methyl-10-[[10-(phenanthren-3-ylmethyl)phenanthren-3-yl]methyl]phenanthrene
CID 123325766
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
2-chrysen-2-ylethanol
CID 87369474
heptacyclo[16.12.0.02,15.04,13.05,10.019,28.022,27]triaconta-1(18),2(15),3,5,7,9,11,13,16,19(28),20,22,24,26,29-pentadecaene
CID 21088016
8-(phenanthren-2-ylmethyl)naphtho[2,1-b][1]benzothiole
CID 139338722
1,5-dibenzylnaphthalene;2,6-dibenzylnaphthalene
CID 123254467
chrysene;iron
CID 157379031
N,N-bis(phenanthren-3-ylmethyl)ethanamine;N,N-bis(phenanthren-9-ylmethyl)ethanamine;N-(phenanthren-3-ylmethyl)-N-(phenanthren-9-ylmethyl)ethanamine
CID 159085119
10-benzylphenanthrene-2-carbonitrile
CID 162401077
2-(naphthalen-2-ylmethyl)naphthalen-1-ol
CID 14854909
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480

Frequently Asked Questions

What is the IUPAC name of 2-(phenanthren-9-ylmethyl)phenanthrene?
The IUPAC name of 2-(phenanthren-9-ylmethyl)phenanthrene (CID 161235111) is 2-(phenanthren-9-ylmethyl)phenanthrene.
What is the SMILES notation for 2-(phenanthren-9-ylmethyl)phenanthrene?
The canonical SMILES for 2-(phenanthren-9-ylmethyl)phenanthrene is c1ccc2c(c1)ccc1cc(Cc3cc4ccccc4c4ccccc34)ccc12.
What is the InChIKey of 2-(phenanthren-9-ylmethyl)phenanthrene?
The InChIKey is ARGJIOIHWWALKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20/c1-3-9-25-21(7-1)14-15-23-17-20(13-16-28(23)25)18-24-19-22-8-2-4-10-26(22)29-12-6-5-11-27(24)29/h1-17,19H,18H2.
What are the key properties of 2-(phenanthren-9-ylmethyl)phenanthrene?
2-(phenanthren-9-ylmethyl)phenanthrene has a molecular weight of 368.48 g/mol, XLogP of 7.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenanthren-9-ylmethyl)phenanthrene is sourced from PubChem (CID 161235111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).