1-(3-anthracen-2-ylphenyl)-7-(1H-inden-5-yl)anthracene

C43H28 — CID 144959897

IUPAC1-(3-anthracen-2-ylphenyl)-7-(1H-inden-5-yl)anthracene
SMILESC1=Cc2cc(-c3ccc4cc5cccc(-c6cccc(-c7ccc8cc9ccccc9cc8c7)c6)c5cc4c3)ccc2C1
InChIInChI=1S/C43H28/c1-2-7-31-24-40-25-34(16-18-36(40)21-30(31)6-1)32-10-4-11-38(22-32)42-13-5-12-39-23-37-19-17-35(26-41(37)27-43(39)42)33-15-14-28-8-3-9-29(28)20-33/h1-7,9-27H,8H2
InChIKeyULPZAFXYIFAGPC-UHFFFAOYSA-N
MW544.70 g/mol
LogP11.87
Rot. Bonds3

About 1-(3-anthracen-2-ylphenyl)-7-(1H-inden-5-yl)anthracene

1-(3-anthracen-2-ylphenyl)-7-(1H-inden-5-yl)anthracene (PubChem CID 144959897) has the molecular formula C43H28 and a molecular weight of 544.70 g/mol. Its IUPAC name is 1-(3-anthracen-2-ylphenyl)-7-(1H-inden-5-yl)anthracene.

Molecular Properties

Compound Name1-(3-anthracen-2-ylphenyl)-7-(1H-inden-5-yl)anthracene
PubChem CID144959897
Molecular FormulaC43H28
Molecular Weight544.70 g/mol
Exact Mass544.22
IUPAC Name1-(3-anthracen-2-ylphenyl)-7-(1H-inden-5-yl)anthracene
SMILESC1=Cc2cc(-c3ccc4cc5cccc(-c6cccc(-c7ccc8cc9ccccc9cc8c7)c6)c5cc4c3)ccc2C1
InChIInChI=1S/C43H28/c1-2-7-31-24-40-25-34(16-18-36(40)21-30(31)6-1)32-10-4-11-38(22-32)42-13-5-12-39-23-37-19-17-35(26-41(37)27-43(39)42)33-15-14-28-8-3-9-29(28)20-33/h1-7,9-27H,8H2
InChIKeyULPZAFXYIFAGPC-UHFFFAOYSA-N
XLogP11.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.70
LogP ≤ 511.87
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-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 143886225
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
2-(1H-inden-5-yl)-9H-fluorene
CID 145186106
11H-benzo[b]fluorene;9H-fluorene;heptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene;hexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;hexacyclo[12.11.0.03,12.05,10.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene;1H-indene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 160875333
2-naphthalen-1-ylanthracene
CID 2748705
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
hydron;1-phenylanthracene
CID 174351162
4-[9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracen-2-yl]benzo[a]anthracene
CID 156676923
3-(7-pentaphen-3-ylnaphthalen-2-yl)pentaphene
CID 59805099
9-naphthalen-2-yl-10-[3-(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene
CID 123993822
1-(4-bromophenyl)anthracene
CID 141156344
3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene
CID 58544667

Frequently Asked Questions

What is the IUPAC name of 1-(3-anthracen-2-ylphenyl)-7-(1H-inden-5-yl)anthracene?
The IUPAC name of 1-(3-anthracen-2-ylphenyl)-7-(1H-inden-5-yl)anthracene (CID 144959897) is 1-(3-anthracen-2-ylphenyl)-7-(1H-inden-5-yl)anthracene.
What is the SMILES notation for 1-(3-anthracen-2-ylphenyl)-7-(1H-inden-5-yl)anthracene?
The canonical SMILES for 1-(3-anthracen-2-ylphenyl)-7-(1H-inden-5-yl)anthracene is C1=Cc2cc(-c3ccc4cc5cccc(-c6cccc(-c7ccc8cc9ccccc9cc8c7)c6)c5cc4c3)ccc2C1.
What is the InChIKey of 1-(3-anthracen-2-ylphenyl)-7-(1H-inden-5-yl)anthracene?
The InChIKey is ULPZAFXYIFAGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28/c1-2-7-31-24-40-25-34(16-18-36(40)21-30(31)6-1)32-10-4-11-38(22-32)42-13-5-12-39-23-37-19-17-35(26-41(37)27-43(39)42)33-15-14-28-8-3-9-29(28)20-33/h1-7,9-27H,8H2.
What are the key properties of 1-(3-anthracen-2-ylphenyl)-7-(1H-inden-5-yl)anthracene?
1-(3-anthracen-2-ylphenyl)-7-(1H-inden-5-yl)anthracene has a molecular weight of 544.70 g/mol, XLogP of 11.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-anthracen-2-ylphenyl)-7-(1H-inden-5-yl)anthracene is sourced from PubChem (CID 144959897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).