9-(10-methyl-7-phenyl-9,10-dihydrophenanthren-4-yl)-10-(4-naphthalen-2-ylphenyl)anthracene

C51H36 — CID 142424644

IUPAC9-(10-methyl-7-phenyl-9,10-dihydrophenanthren-4-yl)-10-(4-naphthalen-2-ylphenyl)anthracene
SMILESCC1Cc2cc(-c3ccccc3)ccc2-c2c(-c3c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc34)cccc21
InChIInChI=1S/C51H36/c1-33-30-41-32-40(34-12-3-2-4-13-34)28-29-43(41)50-42(33)20-11-21-48(50)51-46-18-9-7-16-44(46)49(45-17-8-10-19-47(45)51)37-25-22-36(23-26-37)39-27-24-35-14-5-6-15-38(35)31-39/h2-29,31-33H,30H2,1H3
InChIKeyZZUSPTXSDAFRRX-UHFFFAOYSA-N
MW648.85 g/mol
LogP14.14
Rot. Bonds4

About 9-(10-methyl-7-phenyl-9,10-dihydrophenanthren-4-yl)-10-(4-naphthalen-2-ylphenyl)anthracene

9-(10-methyl-7-phenyl-9,10-dihydrophenanthren-4-yl)-10-(4-naphthalen-2-ylphenyl)anthracene (PubChem CID 142424644) has the molecular formula C51H36 and a molecular weight of 648.85 g/mol. Its IUPAC name is 9-(10-methyl-7-phenyl-9,10-dihydrophenanthren-4-yl)-10-(4-naphthalen-2-ylphenyl)anthracene.

Molecular Properties

Compound Name9-(10-methyl-7-phenyl-9,10-dihydrophenanthren-4-yl)-10-(4-naphthalen-2-ylphenyl)anthracene
PubChem CID142424644
Molecular FormulaC51H36
Molecular Weight648.85 g/mol
Exact Mass648.28
IUPAC Name9-(10-methyl-7-phenyl-9,10-dihydrophenanthren-4-yl)-10-(4-naphthalen-2-ylphenyl)anthracene
SMILESCC1Cc2cc(-c3ccccc3)ccc2-c2c(-c3c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc34)cccc21
InChIInChI=1S/C51H36/c1-33-30-41-32-40(34-12-3-2-4-13-34)28-29-43(41)50-42(33)20-11-21-48(50)51-46-18-9-7-16-44(46)49(45-17-8-10-19-47(45)51)37-25-22-36(23-26-37)39-27-24-35-14-5-6-15-38(35)31-39/h2-29,31-33H,30H2,1H3
InChIKeyZZUSPTXSDAFRRX-UHFFFAOYSA-N
XLogP14.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.85
LogP ≤ 514.14
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-[2-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123816482
9-naphthalen-2-yl-10-[3-(7-phenyl-9H-fluoren-2-yl)phenyl]anthracene
CID 59725438
9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene
CID 159190052
bis(9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 160765049
9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159702993
9-(5-naphthalen-2-yl-2-phenylphenyl)-10-(4-phenylphenyl)anthracene
CID 176775937
9-(4-naphthalen-2-ylphenyl)-10-[4-[5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]phenyl]anthracene
CID 59523732
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799
9-naphthalen-2-yl-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-naphthalen-2-yl-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-naphthalen-2-yl-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;9-phenyl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 159178358

Frequently Asked Questions

What is the IUPAC name of 9-(10-methyl-7-phenyl-9,10-dihydrophenanthren-4-yl)-10-(4-naphthalen-2-ylphenyl)anthracene?
The IUPAC name of 9-(10-methyl-7-phenyl-9,10-dihydrophenanthren-4-yl)-10-(4-naphthalen-2-ylphenyl)anthracene (CID 142424644) is 9-(10-methyl-7-phenyl-9,10-dihydrophenanthren-4-yl)-10-(4-naphthalen-2-ylphenyl)anthracene.
What is the SMILES notation for 9-(10-methyl-7-phenyl-9,10-dihydrophenanthren-4-yl)-10-(4-naphthalen-2-ylphenyl)anthracene?
The canonical SMILES for 9-(10-methyl-7-phenyl-9,10-dihydrophenanthren-4-yl)-10-(4-naphthalen-2-ylphenyl)anthracene is CC1Cc2cc(-c3ccccc3)ccc2-c2c(-c3c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc34)cccc21.
What is the InChIKey of 9-(10-methyl-7-phenyl-9,10-dihydrophenanthren-4-yl)-10-(4-naphthalen-2-ylphenyl)anthracene?
The InChIKey is ZZUSPTXSDAFRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36/c1-33-30-41-32-40(34-12-3-2-4-13-34)28-29-43(41)50-42(33)20-11-21-48(50)51-46-18-9-7-16-44(46)49(45-17-8-10-19-47(45)51)37-25-22-36(23-26-37)39-27-24-35-14-5-6-15-38(35)31-39/h2-29,31-33H,30H2,1H3.
What are the key properties of 9-(10-methyl-7-phenyl-9,10-dihydrophenanthren-4-yl)-10-(4-naphthalen-2-ylphenyl)anthracene?
9-(10-methyl-7-phenyl-9,10-dihydrophenanthren-4-yl)-10-(4-naphthalen-2-ylphenyl)anthracene has a molecular weight of 648.85 g/mol, XLogP of 14.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(10-methyl-7-phenyl-9,10-dihydrophenanthren-4-yl)-10-(4-naphthalen-2-ylphenyl)anthracene is sourced from PubChem (CID 142424644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).