10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-9-naphthalen-2-yl-2-phenyl-1,2-dihydroanthracene

C46H34 — CID 167515701

IUPAC10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-9-naphthalen-2-yl-2-phenyl-1,2-dihydroanthracene
SMILESC1=Cc2cc(-c3cccc(-c4c5c(c(-c6ccc7ccccc7c6)c6ccccc46)CC(c4ccccc4)C=C5)c3)ccc2CC1
InChIInChI=1S/C46H34/c1-2-11-31(12-3-1)38-25-26-43-44(30-38)46(40-24-22-33-14-5-7-16-35(33)28-40)42-20-9-8-19-41(42)45(43)39-18-10-17-36(29-39)37-23-21-32-13-4-6-15-34(32)27-37/h1-3,5-12,14-29,38H,4,13,30H2
InChIKeyYAQWUKDXEITKLT-UHFFFAOYSA-N
MW586.78 g/mol
LogP12.31
Rot. Bonds4

About 10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-9-naphthalen-2-yl-2-phenyl-1,2-dihydroanthracene

10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-9-naphthalen-2-yl-2-phenyl-1,2-dihydroanthracene (PubChem CID 167515701) has the molecular formula C46H34 and a molecular weight of 586.78 g/mol. Its IUPAC name is 10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-9-naphthalen-2-yl-2-phenyl-1,2-dihydroanthracene.

Molecular Properties

Compound Name10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-9-naphthalen-2-yl-2-phenyl-1,2-dihydroanthracene
PubChem CID167515701
Molecular FormulaC46H34
Molecular Weight586.78 g/mol
Exact Mass586.27
IUPAC Name10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-9-naphthalen-2-yl-2-phenyl-1,2-dihydroanthracene
SMILESC1=Cc2cc(-c3cccc(-c4c5c(c(-c6ccc7ccccc7c6)c6ccccc46)CC(c4ccccc4)C=C5)c3)ccc2CC1
InChIInChI=1S/C46H34/c1-2-11-31(12-3-1)38-25-26-43-44(30-38)46(40-24-22-33-14-5-7-16-35(33)28-40)42-20-9-8-19-41(42)45(43)39-18-10-17-36(29-39)37-23-21-32-13-4-6-15-34(32)27-37/h1-3,5-12,14-29,38H,4,13,30H2
InChIKeyYAQWUKDXEITKLT-UHFFFAOYSA-N
XLogP12.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.78
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-2,10-diphenylanthracene
CID 168993984
9-(6-naphthalen-2-yl-5,6-dihydronaphthalen-2-yl)-10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 143848194
9-(3,4-dihydronaphthalen-2-yl)-10-(5,6-dihydronaphthalen-2-yl)-2-methyl-1,2-dihydroanthracene
CID 145280807
5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene
CID 143811534
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833
2-(1,2-dihydronaphthalen-2-yl)-6,10-dinaphthalen-2-yl-9-(4-phenylphenyl)anthracene
CID 59766313
2-[10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 155714690
9-(1,10a-dihydrophenanthren-2-yl)-6-N-(5,6-dihydronaphthalen-2-yl)-2-N,2-N,6-N-trinaphthalen-2-yl-10-phenanthren-2-ylanthracene-2,6-diamine
CID 89189749
9-[4-(7,8-dihydronaphthalen-1-yl)-3-phenylphenyl]-10-naphthalen-2-ylanthracene
CID 143300944
2-N-(5,6-dihydronaphthalen-2-yl)-2-N,6-N,6-N-trinaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine
CID 89188215
18'-(5,6-dihydronaphthalen-2-yl)-5'-naphthalen-2-ylspiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene]
CID 144772650
2-[4-[10-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3,4-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]-1,3-benzoxazole
CID 89218061

Frequently Asked Questions

What is the IUPAC name of 10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-9-naphthalen-2-yl-2-phenyl-1,2-dihydroanthracene?
The IUPAC name of 10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-9-naphthalen-2-yl-2-phenyl-1,2-dihydroanthracene (CID 167515701) is 10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-9-naphthalen-2-yl-2-phenyl-1,2-dihydroanthracene.
What is the SMILES notation for 10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-9-naphthalen-2-yl-2-phenyl-1,2-dihydroanthracene?
The canonical SMILES for 10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-9-naphthalen-2-yl-2-phenyl-1,2-dihydroanthracene is C1=Cc2cc(-c3cccc(-c4c5c(c(-c6ccc7ccccc7c6)c6ccccc46)CC(c4ccccc4)C=C5)c3)ccc2CC1.
What is the InChIKey of 10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-9-naphthalen-2-yl-2-phenyl-1,2-dihydroanthracene?
The InChIKey is YAQWUKDXEITKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34/c1-2-11-31(12-3-1)38-25-26-43-44(30-38)46(40-24-22-33-14-5-7-16-35(33)28-40)42-20-9-8-19-41(42)45(43)39-18-10-17-36(29-39)37-23-21-32-13-4-6-15-34(32)27-37/h1-3,5-12,14-29,38H,4,13,30H2.
What are the key properties of 10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-9-naphthalen-2-yl-2-phenyl-1,2-dihydroanthracene?
10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-9-naphthalen-2-yl-2-phenyl-1,2-dihydroanthracene has a molecular weight of 586.78 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-9-naphthalen-2-yl-2-phenyl-1,2-dihydroanthracene is sourced from PubChem (CID 167515701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).