9-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-2,10-diphenylanthracene

C42H30 — CID 168993984

IUPAC9-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-2,10-diphenylanthracene
SMILESC1=Cc2cc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccc(-c6ccccc6)cc45)c3)ccc2CC1
InChIInChI=1S/C42H30/c1-3-12-29(13-4-1)35-24-25-39-40(28-35)42(38-21-10-9-20-37(38)41(39)31-15-5-2-6-16-31)36-19-11-18-33(27-36)34-23-22-30-14-7-8-17-32(30)26-34/h1-6,8-13,15-28H,7,14H2
InChIKeyFDKSKFWDTJMERU-UHFFFAOYSA-N
MW534.70 g/mol
LogP11.62
Rot. Bonds4

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

9-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-2,10-diphenylanthracene (PubChem CID 168993984) has the molecular formula C42H30 and a molecular weight of 534.70 g/mol. Its IUPAC name is 9-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-2,10-diphenylanthracene.

Molecular Properties

Compound Name9-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-2,10-diphenylanthracene
PubChem CID168993984
Molecular FormulaC42H30
Molecular Weight534.70 g/mol
Exact Mass534.23
IUPAC Name9-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-2,10-diphenylanthracene
SMILESC1=Cc2cc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccc(-c6ccccc6)cc45)c3)ccc2CC1
InChIInChI=1S/C42H30/c1-3-12-29(13-4-1)35-24-25-39-40(28-35)42(38-21-10-9-20-37(38)41(39)31-15-5-2-6-16-31)36-19-11-18-33(27-36)34-23-22-30-14-7-8-17-32(30)26-34/h1-6,8-13,15-28H,7,14H2
InChIKeyFDKSKFWDTJMERU-UHFFFAOYSA-N
XLogP11.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 511.62
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

2-[10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 155714690
8-[3-(10-phenylanthracen-9-yl)phenyl]-4,11-dihydro-3H-benzo[a]carbazole
CID 144703463
6-methyl-1,2-dihydronaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene
CID 143081983
9-[4-methyl-3-(3-methyl-5,6-dihydronaphthalen-2-yl)phenyl]-10-(3-phenylphenyl)anthracene
CID 144703495
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
2-N-(5,6-dihydronaphthalen-2-yl)-2-N,6-N,6-N-trinaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine
CID 89188215
2-(7,8-dihydrophenanthren-3-yl)-6-phenanthren-3-yl-9,10-diphenylanthracene
CID 59766384
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
2-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 88564469
6-(3-bromophenyl)-1,2-dihydronaphthalene
CID 143742430
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463

Frequently Asked Questions

What is the IUPAC name of 9-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-2,10-diphenylanthracene?
The IUPAC name of 9-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-2,10-diphenylanthracene (CID 168993984) is 9-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-2,10-diphenylanthracene.
What is the SMILES notation for 9-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-2,10-diphenylanthracene?
The canonical SMILES for 9-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-2,10-diphenylanthracene is C1=Cc2cc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccc(-c6ccccc6)cc45)c3)ccc2CC1.
What is the InChIKey of 9-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-2,10-diphenylanthracene?
The InChIKey is FDKSKFWDTJMERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30/c1-3-12-29(13-4-1)35-24-25-39-40(28-35)42(38-21-10-9-20-37(38)41(39)31-15-5-2-6-16-31)36-19-11-18-33(27-36)34-23-22-30-14-7-8-17-32(30)26-34/h1-6,8-13,15-28H,7,14H2.
What are the key properties of 9-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-2,10-diphenylanthracene?
9-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-2,10-diphenylanthracene has a molecular weight of 534.70 g/mol, XLogP of 11.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-2,10-diphenylanthracene is sourced from PubChem (CID 168993984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).