2-cyclohexa-1,5-dien-1-yl-6-(9,9-dimethyl-6'-naphthalen-1-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenylpyridine

C55H41N — CID 155475729

IUPAC2-cyclohexa-1,5-dien-1-yl-6-(9,9-dimethyl-6'-naphthalen-1-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenylpyridine
SMILESCC1(C)c2ccccc2C2(c3ccc(-c4cccc5ccccc45)cc3-c3c(-c4cc(-c5ccccc5)cc(C5=CCCC=C5)n4)cccc32)c2ccccc21
InChIInChI=1S/C55H41N/c1-54(2)46-26-11-13-28-48(46)55(49-29-14-12-27-47(49)54)45-32-31-39(42-24-15-22-37-19-9-10-23-41(37)42)33-44(45)53-43(25-16-30-50(53)55)52-35-40(36-17-5-3-6-18-36)34-51(56-52)38-20-7-4-8-21-38/h3,5-7,9-35H,4,8H2,1-2H3
InChIKeyYBASGUHMTMNDAQ-UHFFFAOYSA-N
MW715.94 g/mol
LogP13.97
Rot. Bonds4

About 2-cyclohexa-1,5-dien-1-yl-6-(9,9-dimethyl-6'-naphthalen-1-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenylpyridine

2-cyclohexa-1,5-dien-1-yl-6-(9,9-dimethyl-6'-naphthalen-1-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenylpyridine (PubChem CID 155475729) has the molecular formula C55H41N and a molecular weight of 715.94 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-6-(9,9-dimethyl-6'-naphthalen-1-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenylpyridine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-6-(9,9-dimethyl-6'-naphthalen-1-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenylpyridine
PubChem CID155475729
Molecular FormulaC55H41N
Molecular Weight715.94 g/mol
Exact Mass715.32
IUPAC Name2-cyclohexa-1,5-dien-1-yl-6-(9,9-dimethyl-6'-naphthalen-1-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenylpyridine
SMILESCC1(C)c2ccccc2C2(c3ccc(-c4cccc5ccccc45)cc3-c3c(-c4cc(-c5ccccc5)cc(C5=CCCC=C5)n4)cccc32)c2ccccc21
InChIInChI=1S/C55H41N/c1-54(2)46-26-11-13-28-48(46)55(49-29-14-12-27-47(49)54)45-32-31-39(42-24-15-22-37-19-9-10-23-41(37)42)33-44(45)53-43(25-16-30-50(53)55)52-35-40(36-17-5-3-6-18-36)34-51(56-52)38-20-7-4-8-21-38/h3,5-7,9-35H,4,8H2,1-2H3
InChIKeyYBASGUHMTMNDAQ-UHFFFAOYSA-N
XLogP13.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.94
LogP ≤ 513.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[9,9-dimethyl-6'-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine
CID 153293196
2-[6'-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine
CID 142480512
4-cyclohepta-1,4,6-trien-1-yl-2-(9,9-dimethyl-6'-phenanthren-3-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-phenylpyridine
CID 155475816
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(3-phenylphenyl)pyridine
CID 146661203
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]pyrimidine
CID 176793365
4-(9,9-dimethyl-6'-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-2,6-diphenylpyridine
CID 153293199
4-cyclohexa-1,5-dien-1-yl-2-[4-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine
CID 137381315
2-(9,9-dimethyl-6'-phenanthren-9-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 153293234
2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine
CID 153302578
4-[6'-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-2,6-diphenylpyridine
CID 142480534
2-[9,9-dimethyl-6'-[3-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyrimidine
CID 142480360
9,9,10,10-tetramethyl-2,6-dinaphthalen-1-ylanthracene
CID 59649099

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-6-(9,9-dimethyl-6'-naphthalen-1-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenylpyridine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-6-(9,9-dimethyl-6'-naphthalen-1-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenylpyridine (CID 155475729) is 2-cyclohexa-1,5-dien-1-yl-6-(9,9-dimethyl-6'-naphthalen-1-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenylpyridine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-6-(9,9-dimethyl-6'-naphthalen-1-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenylpyridine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-6-(9,9-dimethyl-6'-naphthalen-1-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenylpyridine is CC1(C)c2ccccc2C2(c3ccc(-c4cccc5ccccc45)cc3-c3c(-c4cc(-c5ccccc5)cc(C5=CCCC=C5)n4)cccc32)c2ccccc21.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-6-(9,9-dimethyl-6'-naphthalen-1-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenylpyridine?
The InChIKey is YBASGUHMTMNDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41N/c1-54(2)46-26-11-13-28-48(46)55(49-29-14-12-27-47(49)54)45-32-31-39(42-24-15-22-37-19-9-10-23-41(37)42)33-44(45)53-43(25-16-30-50(53)55)52-35-40(36-17-5-3-6-18-36)34-51(56-52)38-20-7-4-8-21-38/h3,5-7,9-35H,4,8H2,1-2H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-6-(9,9-dimethyl-6'-naphthalen-1-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenylpyridine?
2-cyclohexa-1,5-dien-1-yl-6-(9,9-dimethyl-6'-naphthalen-1-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenylpyridine has a molecular weight of 715.94 g/mol, XLogP of 13.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-6-(9,9-dimethyl-6'-naphthalen-1-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenylpyridine is sourced from PubChem (CID 155475729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).