2,6-diphenyl-4-spiro[10H-anthracene-9,9'-fluorene]-2-yl-1,2-dihydropyridine;ethane

C49H49N — CID 145358316

IUPAC2,6-diphenyl-4-spiro[10H-anthracene-9,9'-fluorene]-2-yl-1,2-dihydropyridine;ethane
SMILESC1=C(c2ccc3c(c2)C2(c4ccccc4C3)c3ccccc3-c3ccccc32)C=C(c2ccccc2)NC1c1ccccc1.CC.CC.CC
InChIInChI=1S/C43H31N.3C2H6/c1-3-13-29(14-4-1)41-27-34(28-42(44-41)30-15-5-2-6-16-30)31-23-24-33-25-32-17-7-10-20-37(32)43(40(33)26-31)38-21-11-8-18-35(38)36-19-9-12-22-39(36)43;3*1-2/h1-24,26-28,41,44H,25H2;3*1-2H3
InChIKeyOUBDOYZHAHOSJM-UHFFFAOYSA-N
MW651.94 g/mol
LogP12.80
Rot. Bonds3

About 2,6-diphenyl-4-spiro[10H-anthracene-9,9'-fluorene]-2-yl-1,2-dihydropyridine;ethane

2,6-diphenyl-4-spiro[10H-anthracene-9,9'-fluorene]-2-yl-1,2-dihydropyridine;ethane (PubChem CID 145358316) has the molecular formula C49H49N and a molecular weight of 651.94 g/mol. Its IUPAC name is 2,6-diphenyl-4-spiro[10H-anthracene-9,9'-fluorene]-2-yl-1,2-dihydropyridine;ethane.

Molecular Properties

Compound Name2,6-diphenyl-4-spiro[10H-anthracene-9,9'-fluorene]-2-yl-1,2-dihydropyridine;ethane
PubChem CID145358316
Molecular FormulaC49H49N
Molecular Weight651.94 g/mol
Exact Mass651.39
IUPAC Name2,6-diphenyl-4-spiro[10H-anthracene-9,9'-fluorene]-2-yl-1,2-dihydropyridine;ethane
SMILESC1=C(c2ccc3c(c2)C2(c4ccccc4C3)c3ccccc3-c3ccccc32)C=C(c2ccccc2)NC1c1ccccc1.CC.CC.CC
InChIInChI=1S/C43H31N.3C2H6/c1-3-13-29(14-4-1)41-27-34(28-42(44-41)30-15-5-2-6-16-30)31-23-24-33-25-32-17-7-10-20-37(32)43(40(33)26-31)38-21-11-8-18-35(38)36-19-9-12-22-39(36)43;3*1-2/h1-24,26-28,41,44H,25H2;3*1-2H3
InChIKeyOUBDOYZHAHOSJM-UHFFFAOYSA-N
XLogP12.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.94
LogP ≤ 512.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[6-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-1,2-dihydropyridin-4-yl]benzonitrile
CID 142504387
ethane;spiro[9H-anthracene-10,9'-fluorene]
CID 90717340
6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole
CID 145340775
4-[3-(3-methyl-1,2-dihydropyridin-6-yl)-5-phenanthren-9-ylphenyl]-2,6-diphenyl-1,2-dihydropyridine
CID 130180936
9-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]carbazole
CID 130180910
3-tert-butylspiro[9H-anthracene-10,9'-fluorene]
CID 175918743
ethane;methane;10,10'-spirobi[9H-anthracene]
CID 157229277
butane;ethanamine;ethane;bis(spiro[9H-anthracene-10,9'-fluorene])
CID 165034994
4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-xanthene]-9-yl-1,2-dihydropyridine
CID 142293409
4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)pyridine
CID 146495231
4,6-diphenyl-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine
CID 129263547
N,N-diphenyl-4-spiro[9H-anthracene-10,9'-fluorene]-3'-ylnaphthalen-1-amine
CID 166906524

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-4-spiro[10H-anthracene-9,9'-fluorene]-2-yl-1,2-dihydropyridine;ethane?
The IUPAC name of 2,6-diphenyl-4-spiro[10H-anthracene-9,9'-fluorene]-2-yl-1,2-dihydropyridine;ethane (CID 145358316) is 2,6-diphenyl-4-spiro[10H-anthracene-9,9'-fluorene]-2-yl-1,2-dihydropyridine;ethane.
What is the SMILES notation for 2,6-diphenyl-4-spiro[10H-anthracene-9,9'-fluorene]-2-yl-1,2-dihydropyridine;ethane?
The canonical SMILES for 2,6-diphenyl-4-spiro[10H-anthracene-9,9'-fluorene]-2-yl-1,2-dihydropyridine;ethane is C1=C(c2ccc3c(c2)C2(c4ccccc4C3)c3ccccc3-c3ccccc32)C=C(c2ccccc2)NC1c1ccccc1.CC.CC.CC.
What is the InChIKey of 2,6-diphenyl-4-spiro[10H-anthracene-9,9'-fluorene]-2-yl-1,2-dihydropyridine;ethane?
The InChIKey is OUBDOYZHAHOSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N.3C2H6/c1-3-13-29(14-4-1)41-27-34(28-42(44-41)30-15-5-2-6-16-30)31-23-24-33-25-32-17-7-10-20-37(32)43(40(33)26-31)38-21-11-8-18-35(38)36-19-9-12-22-39(36)43;3*1-2/h1-24,26-28,41,44H,25H2;3*1-2H3.
What are the key properties of 2,6-diphenyl-4-spiro[10H-anthracene-9,9'-fluorene]-2-yl-1,2-dihydropyridine;ethane?
2,6-diphenyl-4-spiro[10H-anthracene-9,9'-fluorene]-2-yl-1,2-dihydropyridine;ethane has a molecular weight of 651.94 g/mol, XLogP of 12.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-4-spiro[10H-anthracene-9,9'-fluorene]-2-yl-1,2-dihydropyridine;ethane is sourced from PubChem (CID 145358316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).