9-[4-(7,8-dihydronaphthalen-1-yl)-3-phenylphenyl]-10-naphthalen-2-ylanthracene

C46H32 — CID 143300944

IUPAC9-[4-(7,8-dihydronaphthalen-1-yl)-3-phenylphenyl]-10-naphthalen-2-ylanthracene
SMILESC1=Cc2cccc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3-c3ccccc3)c2CC1
InChIInChI=1S/C46H32/c1-2-14-33(15-3-1)44-30-36(27-28-39(44)38-24-12-18-32-16-6-7-19-37(32)38)46-42-22-10-8-20-40(42)45(41-21-9-11-23-43(41)46)35-26-25-31-13-4-5-17-34(31)29-35/h1-6,8-18,20-30H,7,19H2
InChIKeyAGPBZYAJTCUGIN-UHFFFAOYSA-N
MW584.76 g/mol
LogP12.77
Rot. Bonds4

About 9-[4-(7,8-dihydronaphthalen-1-yl)-3-phenylphenyl]-10-naphthalen-2-ylanthracene

9-[4-(7,8-dihydronaphthalen-1-yl)-3-phenylphenyl]-10-naphthalen-2-ylanthracene (PubChem CID 143300944) has the molecular formula C46H32 and a molecular weight of 584.76 g/mol. Its IUPAC name is 9-[4-(7,8-dihydronaphthalen-1-yl)-3-phenylphenyl]-10-naphthalen-2-ylanthracene.

Molecular Properties

Compound Name9-[4-(7,8-dihydronaphthalen-1-yl)-3-phenylphenyl]-10-naphthalen-2-ylanthracene
PubChem CID143300944
Molecular FormulaC46H32
Molecular Weight584.76 g/mol
Exact Mass584.25
IUPAC Name9-[4-(7,8-dihydronaphthalen-1-yl)-3-phenylphenyl]-10-naphthalen-2-ylanthracene
SMILESC1=Cc2cccc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3-c3ccccc3)c2CC1
InChIInChI=1S/C46H32/c1-2-14-33(15-3-1)44-30-36(27-28-39(44)38-24-12-18-32-16-6-7-19-37(32)38)46-42-22-10-8-20-40(42)45(41-21-9-11-23-43(41)46)35-26-25-31-13-4-5-17-34(31)29-35/h1-6,8-18,20-30H,7,19H2
InChIKeyAGPBZYAJTCUGIN-UHFFFAOYSA-N
XLogP12.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.76
LogP ≤ 512.77
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-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)anthracene
CID 58856517
2-(7,8-dihydronaphthalen-1-yl)-8-(3-phenylnaphthalen-2-yl)dibenzofuran
CID 70972681
9-[3,4-bis(2-phenylphenyl)phenyl]-10-naphthalen-2-ylanthracene;9-[3,4-bis(3-phenylphenyl)phenyl]-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-[4-(2-phenylphenyl)-3-(3-phenylphenyl)phenyl]anthracene
CID 157150348
9-(3,4-dihydrophenanthren-9-yl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 152841086
9-naphthalen-2-yl-10-[3-phenyl-4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]anthracene;2,6,9-triphenyl-10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene
CID 161195272
9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene
CID 58965768
10-naphthalen-2-yl-1-(4-phenylphenyl)anthracene
CID 173141630
9-naphthalen-2-yl-10-(2-naphthalen-2-yl-6-phenylphenyl)anthracene
CID 171447256
9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene
CID 123216582
9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 162702349
2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 174167803
9-(3,4-diphenylphenyl)-10-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]anthracene;9-(3,5-diphenylphenyl)-10-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]anthracene;methane;9-(4-naphthalen-2-ylphenyl)-10-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]anthracene;9-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;9-(6-phenylnaphthalen-2-yl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(6-phenylnaphthalen-2-yl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-(6-phenylnaphthalen-2-yl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;9-(6-phenylnaphthalen-2-yl)-10-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 158189877

Frequently Asked Questions

What is the IUPAC name of 9-[4-(7,8-dihydronaphthalen-1-yl)-3-phenylphenyl]-10-naphthalen-2-ylanthracene?
The IUPAC name of 9-[4-(7,8-dihydronaphthalen-1-yl)-3-phenylphenyl]-10-naphthalen-2-ylanthracene (CID 143300944) is 9-[4-(7,8-dihydronaphthalen-1-yl)-3-phenylphenyl]-10-naphthalen-2-ylanthracene.
What is the SMILES notation for 9-[4-(7,8-dihydronaphthalen-1-yl)-3-phenylphenyl]-10-naphthalen-2-ylanthracene?
The canonical SMILES for 9-[4-(7,8-dihydronaphthalen-1-yl)-3-phenylphenyl]-10-naphthalen-2-ylanthracene is C1=Cc2cccc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3-c3ccccc3)c2CC1.
What is the InChIKey of 9-[4-(7,8-dihydronaphthalen-1-yl)-3-phenylphenyl]-10-naphthalen-2-ylanthracene?
The InChIKey is AGPBZYAJTCUGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32/c1-2-14-33(15-3-1)44-30-36(27-28-39(44)38-24-12-18-32-16-6-7-19-37(32)38)46-42-22-10-8-20-40(42)45(41-21-9-11-23-43(41)46)35-26-25-31-13-4-5-17-34(31)29-35/h1-6,8-18,20-30H,7,19H2.
What are the key properties of 9-[4-(7,8-dihydronaphthalen-1-yl)-3-phenylphenyl]-10-naphthalen-2-ylanthracene?
9-[4-(7,8-dihydronaphthalen-1-yl)-3-phenylphenyl]-10-naphthalen-2-ylanthracene has a molecular weight of 584.76 g/mol, XLogP of 12.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(7,8-dihydronaphthalen-1-yl)-3-phenylphenyl]-10-naphthalen-2-ylanthracene is sourced from PubChem (CID 143300944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).