9-phenyl-10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracene

C36H26 — CID 164717350

IUPAC9-phenyl-10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracene
SMILESC1=Cc2c(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc(-c3ccccc3)c2CC1
InChIInChI=1S/C36H26/c1-3-13-25(14-4-1)27-23-24-34(29-18-8-7-17-28(27)29)36-32-21-11-9-19-30(32)35(26-15-5-2-6-16-26)31-20-10-12-22-33(31)36/h1-6,8-16,18-24H,7,17H2
InChIKeyPGMLZWFEYNFBGZ-UHFFFAOYSA-N
MW458.60 g/mol
LogP9.95
Rot. Bonds3

About 9-phenyl-10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracene

9-phenyl-10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracene (PubChem CID 164717350) has the molecular formula C36H26 and a molecular weight of 458.60 g/mol. Its IUPAC name is 9-phenyl-10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracene.

Molecular Properties

Compound Name9-phenyl-10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracene
PubChem CID164717350
Molecular FormulaC36H26
Molecular Weight458.60 g/mol
Exact Mass458.20
IUPAC Name9-phenyl-10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracene
SMILESC1=Cc2c(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc(-c3ccccc3)c2CC1
InChIInChI=1S/C36H26/c1-3-13-25(14-4-1)27-23-24-34(29-18-8-7-17-28(27)29)36-32-21-11-9-19-30(32)35(26-15-5-2-6-16-26)31-20-10-12-22-33(31)36/h1-6,8-16,18-24H,7,17H2
InChIKeyPGMLZWFEYNFBGZ-UHFFFAOYSA-N
XLogP9.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-phenyl-10-(4-phenyl-7,8-dihydronaphthalen-1-yl)anthracene
CID 145174557
21-[10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 166019929
3-methyl-6-[10-(4-phenyl-7,8-dihydronaphthalen-1-yl)anthracen-9-yl]benzene-1,2,4,5-tetrol
CID 145303264
ethane;3-methyl-6-[10-(4-phenyl-7,8-dihydronaphthalen-1-yl)anthracen-9-yl]benzene-1,2,4,5-tetrol
CID 145303263
21-[10-(2-phenylphenyl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),11,15,17,19,21-decaene
CID 167515742
6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 87631578
10-methyl-9-(4-methylphenyl)-1,2-dihydroanthracene
CID 143123986
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833
11-phenyl-5-(4-phenylnaphthalen-1-yl)-8H-cyclohepta[b]naphthalene
CID 144837253
4,7-diphenyl-1H-indene
CID 14940861
dimethyl-methylidene-[4-[10-(4-phenylphenyl)-3,4-dihydroanthracen-9-yl]phenyl]-λ5-phosphane
CID 166895339
9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracene?
The IUPAC name of 9-phenyl-10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracene (CID 164717350) is 9-phenyl-10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracene.
What is the SMILES notation for 9-phenyl-10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracene?
The canonical SMILES for 9-phenyl-10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracene is C1=Cc2c(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc(-c3ccccc3)c2CC1.
What is the InChIKey of 9-phenyl-10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracene?
The InChIKey is PGMLZWFEYNFBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26/c1-3-13-25(14-4-1)27-23-24-34(29-18-8-7-17-28(27)29)36-32-21-11-9-19-30(32)35(26-15-5-2-6-16-26)31-20-10-12-22-33(31)36/h1-6,8-16,18-24H,7,17H2.
What are the key properties of 9-phenyl-10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracene?
9-phenyl-10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracene has a molecular weight of 458.60 g/mol, XLogP of 9.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracene is sourced from PubChem (CID 164717350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).