ethane;9-(10-methyl-6-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-10-phenylanthracene

C47H38 — CID 142424729

IUPACethane;9-(10-methyl-6-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-10-phenylanthracene
SMILESCC.CC1Cc2ccc(-c3cccc4ccccc34)cc2-c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc21
InChIInChI=1S/C45H32.C2H6/c1-29-26-32-22-23-33(37-21-11-15-30-12-5-6-16-36(30)37)27-42(32)43-28-34(24-25-35(29)43)45-40-19-9-7-17-38(40)44(31-13-3-2-4-14-31)39-18-8-10-20-41(39)45;1-2/h2-25,27-29H,26H2,1H3;1-2H3
InChIKeyVYODJYYBWRDEQL-UHFFFAOYSA-N
MW602.82 g/mol
LogP13.50
Rot. Bonds3

About ethane;9-(10-methyl-6-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-10-phenylanthracene

ethane;9-(10-methyl-6-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-10-phenylanthracene (PubChem CID 142424729) has the molecular formula C47H38 and a molecular weight of 602.82 g/mol. Its IUPAC name is ethane;9-(10-methyl-6-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-10-phenylanthracene.

Molecular Properties

Compound Nameethane;9-(10-methyl-6-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-10-phenylanthracene
PubChem CID142424729
Molecular FormulaC47H38
Molecular Weight602.82 g/mol
Exact Mass602.30
IUPAC Nameethane;9-(10-methyl-6-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-10-phenylanthracene
SMILESCC.CC1Cc2ccc(-c3cccc4ccccc34)cc2-c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc21
InChIInChI=1S/C45H32.C2H6/c1-29-26-32-22-23-33(37-21-11-15-30-12-5-6-16-36(30)37)27-42(32)43-28-34(24-25-35(29)43)45-40-19-9-7-17-38(40)44(31-13-3-2-4-14-31)39-18-8-10-20-41(39)45;1-2/h2-25,27-29H,26H2,1H3;1-2H3
InChIKeyVYODJYYBWRDEQL-UHFFFAOYSA-N
XLogP13.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.82
LogP ≤ 513.50
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-(5-naphthalen-1-yl-2-phenylphenyl)-10-phenylanthracene
CID 141366540
2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene
CID 58323119
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 144568905
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308
9-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123523837
9-(10-methyl-7-phenyl-9,10-dihydrophenanthren-4-yl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 142424644
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471
9-(4-naphthalen-1-ylphenyl)-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 59398966
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 58426694
2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
CID 58323021
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 159387221
9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413134

Frequently Asked Questions

What is the IUPAC name of ethane;9-(10-methyl-6-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-10-phenylanthracene?
The IUPAC name of ethane;9-(10-methyl-6-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-10-phenylanthracene (CID 142424729) is ethane;9-(10-methyl-6-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-10-phenylanthracene.
What is the SMILES notation for ethane;9-(10-methyl-6-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-10-phenylanthracene?
The canonical SMILES for ethane;9-(10-methyl-6-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-10-phenylanthracene is CC.CC1Cc2ccc(-c3cccc4ccccc34)cc2-c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc21.
What is the InChIKey of ethane;9-(10-methyl-6-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-10-phenylanthracene?
The InChIKey is VYODJYYBWRDEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32.C2H6/c1-29-26-32-22-23-33(37-21-11-15-30-12-5-6-16-36(30)37)27-42(32)43-28-34(24-25-35(29)43)45-40-19-9-7-17-38(40)44(31-13-3-2-4-14-31)39-18-8-10-20-41(39)45;1-2/h2-25,27-29H,26H2,1H3;1-2H3.
What are the key properties of ethane;9-(10-methyl-6-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-10-phenylanthracene?
ethane;9-(10-methyl-6-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-10-phenylanthracene has a molecular weight of 602.82 g/mol, XLogP of 13.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-(10-methyl-6-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-10-phenylanthracene is sourced from PubChem (CID 142424729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).