5,11-dinaphthalen-1-yl-2-(5,6,7,8-tetraphenylnaphthalen-2-yl)-9H-cyclohepta[b]naphthalene

C69H46 — CID 143539851

IUPAC5,11-dinaphthalen-1-yl-2-(5,6,7,8-tetraphenylnaphthalen-2-yl)-9H-cyclohepta[b]naphthalene
SMILESC1=CCC=c2c(-c3cccc4ccccc34)c3cc(-c4ccc5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c5c4)ccc3c(-c3cccc4ccccc34)c2=C1
InChIInChI=1S/C69H46/c1-6-24-48(25-7-1)64-60-42-40-52(44-62(60)65(49-26-8-2-9-27-49)67(51-30-12-4-13-31-51)66(64)50-28-10-3-11-29-50)53-41-43-61-63(45-53)69(57-39-21-33-47-23-17-19-35-55(47)57)59-37-15-5-14-36-58(59)68(61)56-38-20-32-46-22-16-18-34-54(46)56/h1-14,16-45H,15H2
InChIKeyKOLMGEPJYCCTOF-UHFFFAOYSA-N
MW875.13 g/mol
LogP17.49
Rot. Bonds7

About 5,11-dinaphthalen-1-yl-2-(5,6,7,8-tetraphenylnaphthalen-2-yl)-9H-cyclohepta[b]naphthalene

5,11-dinaphthalen-1-yl-2-(5,6,7,8-tetraphenylnaphthalen-2-yl)-9H-cyclohepta[b]naphthalene (PubChem CID 143539851) has the molecular formula C69H46 and a molecular weight of 875.13 g/mol. Its IUPAC name is 5,11-dinaphthalen-1-yl-2-(5,6,7,8-tetraphenylnaphthalen-2-yl)-9H-cyclohepta[b]naphthalene.

Molecular Properties

Compound Name5,11-dinaphthalen-1-yl-2-(5,6,7,8-tetraphenylnaphthalen-2-yl)-9H-cyclohepta[b]naphthalene
PubChem CID143539851
Molecular FormulaC69H46
Molecular Weight875.13 g/mol
Exact Mass874.36
IUPAC Name5,11-dinaphthalen-1-yl-2-(5,6,7,8-tetraphenylnaphthalen-2-yl)-9H-cyclohepta[b]naphthalene
SMILESC1=CCC=c2c(-c3cccc4ccccc34)c3cc(-c4ccc5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c5c4)ccc3c(-c3cccc4ccccc34)c2=C1
InChIInChI=1S/C69H46/c1-6-24-48(25-7-1)64-60-42-40-52(44-62(60)65(49-26-8-2-9-27-49)67(51-30-12-4-13-31-51)66(64)50-28-10-3-11-29-50)53-41-43-61-63(45-53)69(57-39-21-33-47-23-17-19-35-55(47)57)59-37-15-5-14-36-58(59)68(61)56-38-20-32-46-22-16-18-34-54(46)56/h1-14,16-45H,15H2
InChIKeyKOLMGEPJYCCTOF-UHFFFAOYSA-N
XLogP17.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.13
LogP ≤ 517.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
9-naphthalen-1-yl-2,6-diphenyl-10-(5-phenylnaphthalen-1-yl)anthracene;10-naphthalen-1-yl-2-phenyl-9-(5-phenylnaphthalen-1-yl)anthracene;2,7,10-triphenyl-9-(5-phenylnaphthalen-1-yl)anthracene
CID 163914119
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
CID 160747045
2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene
CID 59638737
9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene
CID 58194333
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene
CID 58323636
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene
CID 58875728

Frequently Asked Questions

What is the IUPAC name of 5,11-dinaphthalen-1-yl-2-(5,6,7,8-tetraphenylnaphthalen-2-yl)-9H-cyclohepta[b]naphthalene?
The IUPAC name of 5,11-dinaphthalen-1-yl-2-(5,6,7,8-tetraphenylnaphthalen-2-yl)-9H-cyclohepta[b]naphthalene (CID 143539851) is 5,11-dinaphthalen-1-yl-2-(5,6,7,8-tetraphenylnaphthalen-2-yl)-9H-cyclohepta[b]naphthalene.
What is the SMILES notation for 5,11-dinaphthalen-1-yl-2-(5,6,7,8-tetraphenylnaphthalen-2-yl)-9H-cyclohepta[b]naphthalene?
The canonical SMILES for 5,11-dinaphthalen-1-yl-2-(5,6,7,8-tetraphenylnaphthalen-2-yl)-9H-cyclohepta[b]naphthalene is C1=CCC=c2c(-c3cccc4ccccc34)c3cc(-c4ccc5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c5c4)ccc3c(-c3cccc4ccccc34)c2=C1.
What is the InChIKey of 5,11-dinaphthalen-1-yl-2-(5,6,7,8-tetraphenylnaphthalen-2-yl)-9H-cyclohepta[b]naphthalene?
The InChIKey is KOLMGEPJYCCTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46/c1-6-24-48(25-7-1)64-60-42-40-52(44-62(60)65(49-26-8-2-9-27-49)67(51-30-12-4-13-31-51)66(64)50-28-10-3-11-29-50)53-41-43-61-63(45-53)69(57-39-21-33-47-23-17-19-35-55(47)57)59-37-15-5-14-36-58(59)68(61)56-38-20-32-46-22-16-18-34-54(46)56/h1-14,16-45H,15H2.
What are the key properties of 5,11-dinaphthalen-1-yl-2-(5,6,7,8-tetraphenylnaphthalen-2-yl)-9H-cyclohepta[b]naphthalene?
5,11-dinaphthalen-1-yl-2-(5,6,7,8-tetraphenylnaphthalen-2-yl)-9H-cyclohepta[b]naphthalene has a molecular weight of 875.13 g/mol, XLogP of 17.49, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dinaphthalen-1-yl-2-(5,6,7,8-tetraphenylnaphthalen-2-yl)-9H-cyclohepta[b]naphthalene is sourced from PubChem (CID 143539851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).