9-(10-phenylphenanthren-3-yl)-10-[(2-phenylphenyl)methyl]anthracene

C47H32 — CID 177265103

IUPAC9-(10-phenylphenanthren-3-yl)-10-[(2-phenylphenyl)methyl]anthracene
SMILESc1ccc(-c2ccccc2Cc2c3ccccc3c(-c3ccc4c(-c5ccccc5)cc5ccccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C47H32/c1-3-15-32(16-4-1)37-21-9-7-19-34(37)30-46-39-23-11-13-25-42(39)47(43-26-14-12-24-40(43)46)36-27-28-41-44(33-17-5-2-6-18-33)29-35-20-8-10-22-38(35)45(41)31-36/h1-29,31H,30H2
InChIKeyXQPDYEFZDRFGKB-UHFFFAOYSA-N
MW596.77 g/mol
LogP12.89
Rot. Bonds5

About 9-(10-phenylphenanthren-3-yl)-10-[(2-phenylphenyl)methyl]anthracene

9-(10-phenylphenanthren-3-yl)-10-[(2-phenylphenyl)methyl]anthracene (PubChem CID 177265103) has the molecular formula C47H32 and a molecular weight of 596.77 g/mol. Its IUPAC name is 9-(10-phenylphenanthren-3-yl)-10-[(2-phenylphenyl)methyl]anthracene.

Molecular Properties

Compound Name9-(10-phenylphenanthren-3-yl)-10-[(2-phenylphenyl)methyl]anthracene
PubChem CID177265103
Molecular FormulaC47H32
Molecular Weight596.77 g/mol
Exact Mass596.25
IUPAC Name9-(10-phenylphenanthren-3-yl)-10-[(2-phenylphenyl)methyl]anthracene
SMILESc1ccc(-c2ccccc2Cc2c3ccccc3c(-c3ccc4c(-c5ccccc5)cc5ccccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C47H32/c1-3-15-32(16-4-1)37-21-9-7-19-34(37)30-46-39-23-11-13-25-42(39)47(43-26-14-12-24-40(43)46)36-27-28-41-44(33-17-5-2-6-18-33)29-35-20-8-10-22-38(35)45(41)31-36/h1-29,31H,30H2
InChIKeyXQPDYEFZDRFGKB-UHFFFAOYSA-N
XLogP12.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.77
LogP ≤ 512.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-(8-naphthalen-2-ylnaphthalen-2-yl)-10-[(2-phenylphenyl)methyl]anthracene
CID 177264907
3-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene
CID 177264885
2-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 176754857
4-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene
CID 177265101
2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene
CID 59583053
9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58323001
9-[[2-(phenanthren-9-ylmethyl)phenyl]methyl]-10-(7-phenylnaphthalen-1-yl)anthracene
CID 176862355
9-(6,7-diphenylnaphthalen-2-yl)-10-phenanthren-2-ylanthracene
CID 91535853
3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene
CID 58194539
9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837293
3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenylphenanthrene
CID 140942160
2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene
CID 58323119

Frequently Asked Questions

What is the IUPAC name of 9-(10-phenylphenanthren-3-yl)-10-[(2-phenylphenyl)methyl]anthracene?
The IUPAC name of 9-(10-phenylphenanthren-3-yl)-10-[(2-phenylphenyl)methyl]anthracene (CID 177265103) is 9-(10-phenylphenanthren-3-yl)-10-[(2-phenylphenyl)methyl]anthracene.
What is the SMILES notation for 9-(10-phenylphenanthren-3-yl)-10-[(2-phenylphenyl)methyl]anthracene?
The canonical SMILES for 9-(10-phenylphenanthren-3-yl)-10-[(2-phenylphenyl)methyl]anthracene is c1ccc(-c2ccccc2Cc2c3ccccc3c(-c3ccc4c(-c5ccccc5)cc5ccccc5c4c3)c3ccccc23)cc1.
What is the InChIKey of 9-(10-phenylphenanthren-3-yl)-10-[(2-phenylphenyl)methyl]anthracene?
The InChIKey is XQPDYEFZDRFGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32/c1-3-15-32(16-4-1)37-21-9-7-19-34(37)30-46-39-23-11-13-25-42(39)47(43-26-14-12-24-40(43)46)36-27-28-41-44(33-17-5-2-6-18-33)29-35-20-8-10-22-38(35)45(41)31-36/h1-29,31H,30H2.
What are the key properties of 9-(10-phenylphenanthren-3-yl)-10-[(2-phenylphenyl)methyl]anthracene?
9-(10-phenylphenanthren-3-yl)-10-[(2-phenylphenyl)methyl]anthracene has a molecular weight of 596.77 g/mol, XLogP of 12.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(10-phenylphenanthren-3-yl)-10-[(2-phenylphenyl)methyl]anthracene is sourced from PubChem (CID 177265103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).