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

C128H84 — CID 159702993

IUPAC9-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
SMILESc1cc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)cc(-c2ccc3ccccc3c2)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.c1ccc(-c2cccc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)c2)cc1
InChIInChI=1S/C46H30.C42H28.C40H26/c1-2-13-35-30-38(28-25-31(35)11-1)37-16-9-15-36(29-37)32-23-26-34(27-24-32)45-41-18-5-7-20-43(41)46(44-21-8-6-19-42(44)45)40-22-10-14-33-12-3-4-17-39(33)40;1-2-12-29(13-3-1)33-16-10-17-34(28-33)30-24-26-32(27-25-30)41-37-19-6-8-21-39(37)42(40-22-9-7-20-38(40)41)36-23-11-15-31-14-4-5-18-35(31)36;1-2-13-29-25-31(24-23-27(29)11-1)30-15-9-16-32(26-30)39-35-18-5-7-20-37(35)40(38-21-8-6-19-36(38)39)34-22-10-14-28-12-3-4-17-33(28)34/h1-30H;1-28H;1-26H
InChIKeyMXWAZTLYBPLFKX-UHFFFAOYSA-N
MW1622.08 g/mol
LogP36.08
Rot. Bonds11

About 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

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 (PubChem CID 159702993) has the molecular formula C128H84 and a molecular weight of 1622.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID159702993
Molecular FormulaC128H84
Molecular Weight1622.08 g/mol
Exact Mass1620.66
IUPAC Name9-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
SMILESc1cc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)cc(-c2ccc3ccccc3c2)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.c1ccc(-c2cccc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)c2)cc1
InChIInChI=1S/C46H30.C42H28.C40H26/c1-2-13-35-30-38(28-25-31(35)11-1)37-16-9-15-36(29-37)32-23-26-34(27-24-32)45-41-18-5-7-20-43(41)46(44-21-8-6-19-42(44)45)40-22-10-14-33-12-3-4-17-39(33)40;1-2-12-29(13-3-1)33-16-10-17-34(28-33)30-24-26-32(27-25-30)41-37-19-6-8-21-39(37)42(40-22-9-7-20-38(40)41)36-23-11-15-31-14-4-5-18-35(31)36;1-2-13-29-25-31(24-23-27(29)11-1)30-15-9-16-32(26-30)39-35-18-5-7-20-37(35)40(38-21-8-6-19-36(38)39)34-22-10-14-28-12-3-4-17-33(28)34/h1-30H;1-28H;1-26H
InChIKeyMXWAZTLYBPLFKX-UHFFFAOYSA-N
XLogP36.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms128
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001622.08
LogP ≤ 536.08
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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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)cc(-c2ccc3ccccc3c2)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.c1ccc(-c2cccc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is MXWAZTLYBPLFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30.C42H28.C40H26/c1-2-13-35-30-38(28-25-31(35)11-1)37-16-9-15-36(29-37)32-23-26-34(27-24-32)45-41-18-5-7-20-43(41)46(44-21-8-6-19-42(44)45)40-22-10-14-33-12-3-4-17-39(33)40;1-2-12-29(13-3-1)33-16-10-17-34(28-33)30-24-26-32(27-25-30)41-37-19-6-8-21-39(37)42(40-22-9-7-20-38(40)41)36-23-11-15-31-14-4-5-18-35(31)36;1-2-13-29-25-31(24-23-27(29)11-1)30-15-9-16-32(26-30)39-35-18-5-7-20-37(35)40(38-21-8-6-19-36(38)39)34-22-10-14-28-12-3-4-17-33(28)34/h1-30H;1-28H;1-26H.
What are the key properties of 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?
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 has a molecular weight of 1622.08 g/mol, XLogP of 36.08, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159702993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).