1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenylpyrazole

C43H28N2 — CID 129257003

IUPAC1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenylpyrazole
SMILESc1ccc(-c2ccn(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)n2)cc1
InChIInChI=1S/C43H28N2/c1-2-12-31(13-3-1)41-24-25-45(44-41)36-22-23-39-40(28-36)43(35-21-19-30-11-5-7-15-33(30)27-35)38-17-9-8-16-37(38)42(39)34-20-18-29-10-4-6-14-32(29)26-34/h1-28H
InChIKeyULOLHRZOUJZTMN-UHFFFAOYSA-N
MW572.71 g/mol
LogP11.49
Rot. Bonds4

About 1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenylpyrazole

1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenylpyrazole (PubChem CID 129257003) has the molecular formula C43H28N2 and a molecular weight of 572.71 g/mol. Its IUPAC name is 1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenylpyrazole.

Molecular Properties

Compound Name1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenylpyrazole
PubChem CID129257003
Molecular FormulaC43H28N2
Molecular Weight572.71 g/mol
Exact Mass572.23
IUPAC Name1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenylpyrazole
SMILESc1ccc(-c2ccn(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)n2)cc1
InChIInChI=1S/C43H28N2/c1-2-12-31(13-3-1)41-24-25-45(44-41)36-22-23-39-40(28-36)43(35-21-19-30-11-5-7-15-33(30)27-35)38-17-9-8-16-37(38)42(39)34-20-18-29-10-4-6-14-32(29)26-34/h1-28H
InChIKeyULOLHRZOUJZTMN-UHFFFAOYSA-N
XLogP11.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,6-diphenylpyridine
CID 90361557
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-4,6-diphenylpyridine
CID 91376653
9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole
CID 59220884
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-[6-carbazol-9-yl-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]carbazole
CID 59219506
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
9-[6-(3-naphthalen-2-yl-5-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 58590127

Frequently Asked Questions

What is the IUPAC name of 1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenylpyrazole?
The IUPAC name of 1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenylpyrazole (CID 129257003) is 1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenylpyrazole.
What is the SMILES notation for 1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenylpyrazole?
The canonical SMILES for 1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenylpyrazole is c1ccc(-c2ccn(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)n2)cc1.
What is the InChIKey of 1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenylpyrazole?
The InChIKey is ULOLHRZOUJZTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2/c1-2-12-31(13-3-1)41-24-25-45(44-41)36-22-23-39-40(28-36)43(35-21-19-30-11-5-7-15-33(30)27-35)38-17-9-8-16-37(38)42(39)34-20-18-29-10-4-6-14-32(29)26-34/h1-28H.
What are the key properties of 1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenylpyrazole?
1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenylpyrazole has a molecular weight of 572.71 g/mol, XLogP of 11.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenylpyrazole is sourced from PubChem (CID 129257003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).