10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene

C50H32 — CID 58193908

IUPAC10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene
SMILESc1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccc(-c6ccc7ccccc7c6)cc45)cc3)ccc2c1
InChIInChI=1S/C50H32/c1-3-13-38-30-40(26-22-33(38)10-1)35-20-24-37(25-21-35)49-45-17-7-8-18-46(45)50(44-19-9-15-36-12-5-6-16-43(36)44)47-29-28-42(32-48(47)49)41-27-23-34-11-2-4-14-39(34)31-41/h1-32H
InChIKeyCBQRIVRLDNCQQA-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene

10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene (PubChem CID 58193908) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene.

Molecular Properties

Compound Name10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene
PubChem CID58193908
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene
SMILESc1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccc(-c6ccc7ccccc7c6)cc45)cc3)ccc2c1
InChIInChI=1S/C50H32/c1-3-13-38-30-40(26-22-33(38)10-1)35-20-24-37(25-21-35)49-45-17-7-8-18-46(45)50(44-19-9-15-36-12-5-6-16-43(36)44)47-29-28-42(32-48(47)49)41-27-23-34-11-2-4-14-39(34)31-41/h1-32H
InChIKeyCBQRIVRLDNCQQA-UHFFFAOYSA-N
XLogP14.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 514.12
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-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 159201170
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799
9,10-dinaphthalen-1-yl-2-phenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-phenylanthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenyl-10-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 161337169
10-naphthalen-1-yl-9-naphthalen-2-yl-2-(4-phenylphenyl)anthracene
CID 59766348
9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 123330330
methane;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 142384743
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-phenylanthracene;10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)-9-phenylanthracene
CID 157246826
9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 140856123
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene
CID 58323614
9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene
CID 25112576
9-naphthalen-1-yl-2-naphthalen-2-yl-10-(2-naphthalen-2-ylphenyl)anthracene
CID 58323226
2,9-dinaphthalen-2-yl-10-phenanthren-9-ylanthracene;9-naphthalen-1-yl-2,10-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene;2,9,10-trinaphthalen-2-ylanthracene
CID 158406092

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene?
The IUPAC name of 10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene (CID 58193908) is 10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene.
What is the SMILES notation for 10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene?
The canonical SMILES for 10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene is c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccc(-c6ccc7ccccc7c6)cc45)cc3)ccc2c1.
What is the InChIKey of 10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene?
The InChIKey is CBQRIVRLDNCQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-3-13-38-30-40(26-22-33(38)10-1)35-20-24-37(25-21-35)49-45-17-7-8-18-46(45)50(44-19-9-15-36-12-5-6-16-43(36)44)47-29-28-42(32-48(47)49)41-27-23-34-11-2-4-14-39(34)31-41/h1-32H.
What are the key properties of 10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene?
10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene has a molecular weight of 632.81 g/mol, XLogP of 14.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene is sourced from PubChem (CID 58193908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).