9-naphthalen-2-yl-10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracene

C45H30 — CID 123993670

IUPAC9-naphthalen-2-yl-10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracene
SMILESC1=C(c2ccccc2)C(c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)c2ccccc21
InChIInChI=1S/C45H30/c1-2-13-31(14-3-1)42-29-35-16-6-7-17-37(35)43(42)32-23-25-33(26-24-32)44-38-18-8-10-20-40(38)45(41-21-11-9-19-39(41)44)36-27-22-30-12-4-5-15-34(30)28-36/h1-29,43H
InChIKeyHEGZSNHWRGVWHT-UHFFFAOYSA-N
MW570.74 g/mol
LogP12.17
Rot. Bonds4

About 9-naphthalen-2-yl-10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracene

9-naphthalen-2-yl-10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracene (PubChem CID 123993670) has the molecular formula C45H30 and a molecular weight of 570.74 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracene.

Molecular Properties

Compound Name9-naphthalen-2-yl-10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracene
PubChem CID123993670
Molecular FormulaC45H30
Molecular Weight570.74 g/mol
Exact Mass570.23
IUPAC Name9-naphthalen-2-yl-10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracene
SMILESC1=C(c2ccccc2)C(c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)c2ccccc21
InChIInChI=1S/C45H30/c1-2-13-31(14-3-1)42-29-35-16-6-7-17-37(35)43(42)32-23-25-33(26-24-32)44-38-18-8-10-20-40(38)45(41-21-11-9-19-39(41)44)36-27-22-30-12-4-5-15-34(30)28-36/h1-29,43H
InChIKeyHEGZSNHWRGVWHT-UHFFFAOYSA-N
XLogP12.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.74
LogP ≤ 512.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

11,11-dimethyl-3-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]benzo[b]fluorene;21,21-dimethyl-17-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 162113284
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-(9H-fluoren-9-yl)-10-naphthalen-2-ylanthracene
CID 102199153
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene
CID 58965768
[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]methanol
CID 23016258
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracene?
The IUPAC name of 9-naphthalen-2-yl-10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracene (CID 123993670) is 9-naphthalen-2-yl-10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracene.
What is the SMILES notation for 9-naphthalen-2-yl-10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracene?
The canonical SMILES for 9-naphthalen-2-yl-10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracene is C1=C(c2ccccc2)C(c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)c2ccccc21.
What is the InChIKey of 9-naphthalen-2-yl-10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracene?
The InChIKey is HEGZSNHWRGVWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30/c1-2-13-31(14-3-1)42-29-35-16-6-7-17-37(35)43(42)32-23-25-33(26-24-32)44-38-18-8-10-20-40(38)45(41-21-11-9-19-39(41)44)36-27-22-30-12-4-5-15-34(30)28-36/h1-29,43H.
What are the key properties of 9-naphthalen-2-yl-10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracene?
9-naphthalen-2-yl-10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracene has a molecular weight of 570.74 g/mol, XLogP of 12.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracene is sourced from PubChem (CID 123993670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).