2,6-diphenyl-4-(9-spiro[cyclohexane-1,9'-fluorene]-2'-yl-10-spiro[7,8-dihydrofluorene-9,1'-cyclohexane]-2-ylanthracen-2-yl)pyridine

C67H55N — CID 88589723

IUPAC2,6-diphenyl-4-(9-spiro[cyclohexane-1,9'-fluorene]-2'-yl-10-spiro[7,8-dihydrofluorene-9,1'-cyclohexane]-2-ylanthracen-2-yl)pyridine
SMILESC1=CC2=C(CC1)C1(CCCCC1)c1cc(-c3c4ccccc4c(-c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)c4cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc34)ccc12
InChIInChI=1S/C67H55N/c1-5-19-44(20-6-1)62-42-49(43-63(68-62)45-21-7-2-8-22-45)46-29-34-56-57(39-46)65(48-31-33-53-51-24-12-14-28-59(51)67(61(53)41-48)37-17-4-18-38-67)55-26-10-9-25-54(55)64(56)47-30-32-52-50-23-11-13-27-58(50)66(60(52)40-47)35-15-3-16-36-66/h1-2,5-12,14,19-26,28-34,39-43H,3-4,13,15-18,27,35-38H2
InChIKeyRFNWXYBVEVVQDT-UHFFFAOYSA-N
MW874.18 g/mol
LogP18.27
Rot. Bonds5

About 2,6-diphenyl-4-(9-spiro[cyclohexane-1,9'-fluorene]-2'-yl-10-spiro[7,8-dihydrofluorene-9,1'-cyclohexane]-2-ylanthracen-2-yl)pyridine

2,6-diphenyl-4-(9-spiro[cyclohexane-1,9'-fluorene]-2'-yl-10-spiro[7,8-dihydrofluorene-9,1'-cyclohexane]-2-ylanthracen-2-yl)pyridine (PubChem CID 88589723) has the molecular formula C67H55N and a molecular weight of 874.18 g/mol. Its IUPAC name is 2,6-diphenyl-4-(9-spiro[cyclohexane-1,9'-fluorene]-2'-yl-10-spiro[7,8-dihydrofluorene-9,1'-cyclohexane]-2-ylanthracen-2-yl)pyridine.

Molecular Properties

Compound Name2,6-diphenyl-4-(9-spiro[cyclohexane-1,9'-fluorene]-2'-yl-10-spiro[7,8-dihydrofluorene-9,1'-cyclohexane]-2-ylanthracen-2-yl)pyridine
PubChem CID88589723
Molecular FormulaC67H55N
Molecular Weight874.18 g/mol
Exact Mass873.43
IUPAC Name2,6-diphenyl-4-(9-spiro[cyclohexane-1,9'-fluorene]-2'-yl-10-spiro[7,8-dihydrofluorene-9,1'-cyclohexane]-2-ylanthracen-2-yl)pyridine
SMILESC1=CC2=C(CC1)C1(CCCCC1)c1cc(-c3c4ccccc4c(-c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)c4cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc34)ccc12
InChIInChI=1S/C67H55N/c1-5-19-44(20-6-1)62-42-49(43-63(68-62)45-21-7-2-8-22-45)46-29-34-56-57(39-46)65(48-31-33-53-51-24-12-14-28-59(51)67(61(53)41-48)37-17-4-18-38-67)55-26-10-9-25-54(55)64(56)47-30-32-52-50-23-11-13-27-58(50)66(60(52)40-47)35-15-3-16-36-66/h1-2,5-12,14,19-26,28-34,39-43H,3-4,13,15-18,27,35-38H2
InChIKeyRFNWXYBVEVVQDT-UHFFFAOYSA-N
XLogP18.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.18
LogP ≤ 518.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-diphenyl-4-(9-spiro[cyclohexane-1,9'-fluorene]-2'-yl-10-spiro[7,8-dihydrofluorene-9,1'-cyclohexane]-2-ylanthracen-2-yl)pyridine with MolForge

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Related Compounds

2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]
CID 59195417
2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]
CID 59196407
4-[4-[9,10-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)anthracen-2-yl]phenyl]pyridine
CID 90361579
2'-phenylspiro[cyclohexane-1,9'-fluorene]
CID 123183554
2'-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]
CID 59195936
2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]
CID 59195931
2,4-dipyridin-3-yl-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyridine
CID 158578907
2-cyclohexa-1,3-dien-1-yl-1-[4-[6-phenyl-9,10-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)anthracen-2-yl]phenyl]benzimidazole
CID 143119528
5,10-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)benzo[g]isoquinoline
CID 59183204
2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-4,6-diphenylpyridine
CID 59722087
9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-fluoroanthracene
CID 89208400
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158061276

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-4-(9-spiro[cyclohexane-1,9'-fluorene]-2'-yl-10-spiro[7,8-dihydrofluorene-9,1'-cyclohexane]-2-ylanthracen-2-yl)pyridine?
The IUPAC name of 2,6-diphenyl-4-(9-spiro[cyclohexane-1,9'-fluorene]-2'-yl-10-spiro[7,8-dihydrofluorene-9,1'-cyclohexane]-2-ylanthracen-2-yl)pyridine (CID 88589723) is 2,6-diphenyl-4-(9-spiro[cyclohexane-1,9'-fluorene]-2'-yl-10-spiro[7,8-dihydrofluorene-9,1'-cyclohexane]-2-ylanthracen-2-yl)pyridine.
What is the SMILES notation for 2,6-diphenyl-4-(9-spiro[cyclohexane-1,9'-fluorene]-2'-yl-10-spiro[7,8-dihydrofluorene-9,1'-cyclohexane]-2-ylanthracen-2-yl)pyridine?
The canonical SMILES for 2,6-diphenyl-4-(9-spiro[cyclohexane-1,9'-fluorene]-2'-yl-10-spiro[7,8-dihydrofluorene-9,1'-cyclohexane]-2-ylanthracen-2-yl)pyridine is C1=CC2=C(CC1)C1(CCCCC1)c1cc(-c3c4ccccc4c(-c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)c4cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc34)ccc12.
What is the InChIKey of 2,6-diphenyl-4-(9-spiro[cyclohexane-1,9'-fluorene]-2'-yl-10-spiro[7,8-dihydrofluorene-9,1'-cyclohexane]-2-ylanthracen-2-yl)pyridine?
The InChIKey is RFNWXYBVEVVQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H55N/c1-5-19-44(20-6-1)62-42-49(43-63(68-62)45-21-7-2-8-22-45)46-29-34-56-57(39-46)65(48-31-33-53-51-24-12-14-28-59(51)67(61(53)41-48)37-17-4-18-38-67)55-26-10-9-25-54(55)64(56)47-30-32-52-50-23-11-13-27-58(50)66(60(52)40-47)35-15-3-16-36-66/h1-2,5-12,14,19-26,28-34,39-43H,3-4,13,15-18,27,35-38H2.
What are the key properties of 2,6-diphenyl-4-(9-spiro[cyclohexane-1,9'-fluorene]-2'-yl-10-spiro[7,8-dihydrofluorene-9,1'-cyclohexane]-2-ylanthracen-2-yl)pyridine?
2,6-diphenyl-4-(9-spiro[cyclohexane-1,9'-fluorene]-2'-yl-10-spiro[7,8-dihydrofluorene-9,1'-cyclohexane]-2-ylanthracen-2-yl)pyridine has a molecular weight of 874.18 g/mol, XLogP of 18.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-4-(9-spiro[cyclohexane-1,9'-fluorene]-2'-yl-10-spiro[7,8-dihydrofluorene-9,1'-cyclohexane]-2-ylanthracen-2-yl)pyridine is sourced from PubChem (CID 88589723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).