1,9,10-trinaphthalen-1-ylanthracene

C44H28 — CID 58322859

IUPAC1,9,10-trinaphthalen-1-ylanthracene
SMILESc1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4c(-c5cccc6ccccc56)cccc34)cccc2c1
InChIInChI=1S/C44H28/c1-4-19-32-29(13-1)16-9-24-35(32)38-27-12-28-41-42(36-25-10-17-30-14-2-5-20-33(30)36)39-22-7-8-23-40(39)43(44(38)41)37-26-11-18-31-15-3-6-21-34(31)37/h1-28H
InChIKeyGXZKAXZNXXGNJH-UHFFFAOYSA-N
MW556.71 g/mol
LogP12.45
Rot. Bonds3

About 1,9,10-trinaphthalen-1-ylanthracene

1,9,10-trinaphthalen-1-ylanthracene (PubChem CID 58322859) has the molecular formula C44H28 and a molecular weight of 556.71 g/mol. Its IUPAC name is 1,9,10-trinaphthalen-1-ylanthracene.

Molecular Properties

Compound Name1,9,10-trinaphthalen-1-ylanthracene
PubChem CID58322859
Molecular FormulaC44H28
Molecular Weight556.71 g/mol
Exact Mass556.22
IUPAC Name1,9,10-trinaphthalen-1-ylanthracene
SMILESc1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4c(-c5cccc6ccccc56)cccc34)cccc2c1
InChIInChI=1S/C44H28/c1-4-19-32-29(13-1)16-9-24-35(32)38-27-12-28-41-42(36-25-10-17-30-14-2-5-20-33(30)36)39-22-7-8-23-40(39)43(44(38)41)37-26-11-18-31-15-3-6-21-34(31)37/h1-28H
InChIKeyGXZKAXZNXXGNJH-UHFFFAOYSA-N
XLogP12.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.71
LogP ≤ 512.45
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-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene
CID 58194513
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
1,10-dinaphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)anthracene
CID 58322712
9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene
CID 123260726
1,10-dinaphthalen-1-ylanthracene
CID 58645117
1-(1,5-dinaphthalen-1-yl-10-pyren-1-ylanthracen-9-yl)pyrene
CID 143933798
9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene
CID 90290732
10-naphthalen-1-ylanthracen-9-amine
CID 126729232
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
CID 175282704
CID 175282704

Frequently Asked Questions

What is the IUPAC name of 1,9,10-trinaphthalen-1-ylanthracene?
The IUPAC name of 1,9,10-trinaphthalen-1-ylanthracene (CID 58322859) is 1,9,10-trinaphthalen-1-ylanthracene.
What is the SMILES notation for 1,9,10-trinaphthalen-1-ylanthracene?
The canonical SMILES for 1,9,10-trinaphthalen-1-ylanthracene is c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4c(-c5cccc6ccccc56)cccc34)cccc2c1.
What is the InChIKey of 1,9,10-trinaphthalen-1-ylanthracene?
The InChIKey is GXZKAXZNXXGNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28/c1-4-19-32-29(13-1)16-9-24-35(32)38-27-12-28-41-42(36-25-10-17-30-14-2-5-20-33(30)36)39-22-7-8-23-40(39)43(44(38)41)37-26-11-18-31-15-3-6-21-34(31)37/h1-28H.
What are the key properties of 1,9,10-trinaphthalen-1-ylanthracene?
1,9,10-trinaphthalen-1-ylanthracene has a molecular weight of 556.71 g/mol, XLogP of 12.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9,10-trinaphthalen-1-ylanthracene is sourced from PubChem (CID 58322859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).