8-naphthalen-2-yl-5-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzo[c]phenanthrene

C45H32 — CID 59282253

IUPAC8-naphthalen-2-yl-5-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzo[c]phenanthrene
SMILESc1ccc2c(c1)-c1ccc(-c3cc4cc(-c5ccc6ccccc6c5)c5ccccc5c4c4ccccc34)cc1C21CCCC1
InChIInChI=1S/C45H32/c1-2-12-30-25-31(20-19-29(30)11-1)40-26-33-27-41(35-14-4-6-17-39(35)44(33)38-16-5-3-13-34(38)40)32-21-22-37-36-15-7-8-18-42(36)45(43(37)28-32)23-9-10-24-45/h1-8,11-22,25-28H,9-10,23-24H2
InChIKeyNWUQFWXJXJOVLQ-UHFFFAOYSA-N
MW572.75 g/mol
LogP12.47
Rot. Bonds2

About 8-naphthalen-2-yl-5-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzo[c]phenanthrene

8-naphthalen-2-yl-5-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzo[c]phenanthrene (PubChem CID 59282253) has the molecular formula C45H32 and a molecular weight of 572.75 g/mol. Its IUPAC name is 8-naphthalen-2-yl-5-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzo[c]phenanthrene.

Molecular Properties

Compound Name8-naphthalen-2-yl-5-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzo[c]phenanthrene
PubChem CID59282253
Molecular FormulaC45H32
Molecular Weight572.75 g/mol
Exact Mass572.25
IUPAC Name8-naphthalen-2-yl-5-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzo[c]phenanthrene
SMILESc1ccc2c(c1)-c1ccc(-c3cc4cc(-c5ccc6ccccc6c5)c5ccccc5c4c4ccccc34)cc1C21CCCC1
InChIInChI=1S/C45H32/c1-2-12-30-25-31(20-19-29(30)11-1)40-26-33-27-41(35-14-4-6-17-39(35)44(33)38-16-5-3-13-34(38)40)32-21-22-37-36-15-7-8-18-42(36)45(43(37)28-32)23-9-10-24-45/h1-8,11-22,25-28H,9-10,23-24H2
InChIKeyNWUQFWXJXJOVLQ-UHFFFAOYSA-N
XLogP12.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.75
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2'-(6-spiro[cyclopentane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)spiro[cyclopentane-1,9'-fluorene]
CID 58814373
2'-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylbenzo[c]phenanthren-8-yl)spiro[1,3-dihydroindene-2,9'-fluorene]
CID 59282121
6,12-bis(4-benzo[c]phenanthren-5-ylphenyl)chrysene;6,12-bis(3-naphthalen-1-ylphenyl)chrysene;6,12-bis(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)chrysene;6,12-bis(4-triphenylen-2-ylphenyl)chrysene
CID 158482253
8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-naphthalen-2-ylbenzo[c]phenanthrene
CID 59282421
spiro[benzo[b]fluorene-11,1'-cyclopentane]
CID 59806759
2,4,6-tri(spiro[cyclopentane-1,9'-fluorene]-2'-yl)pyrimidine
CID 71215635
2',7'-bis(5-pyren-1-ylnaphthalen-1-yl)spiro[cyclohexane-1,9'-fluorene];2',7'-bis(6-pyren-1-ylnaphthalen-2-yl)spiro[cyclohexane-1,9'-fluorene];1-[5-[9,9-dimethyl-7-(5-pyren-1-ylnaphthalen-1-yl)fluoren-2-yl]naphthalen-1-yl]pyrene;1-[6-[9,9-dimethyl-7-(6-pyren-1-ylnaphthalen-2-yl)fluoren-2-yl]naphthalen-2-yl]pyrene;1-[9,9-dimethyl-7-(6-pyren-1-ylpyren-1-yl)fluoren-2-yl]-6-pyren-1-ylpyrene
CID 159982983
2'-phenylspiro[cyclohexane-1,9'-fluorene]
CID 123183554
9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)fluoren-2-amine
CID 59282335
5,10-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)benzo[g]isoquinoline
CID 59183204
4,4,5,5-tetramethyl-2-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)-1,3,2-dioxaborolane
CID 171832563
9-naphthalen-2-yl-3-[4-[7'-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole
CID 59236268

Frequently Asked Questions

What is the IUPAC name of 8-naphthalen-2-yl-5-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzo[c]phenanthrene?
The IUPAC name of 8-naphthalen-2-yl-5-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzo[c]phenanthrene (CID 59282253) is 8-naphthalen-2-yl-5-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzo[c]phenanthrene.
What is the SMILES notation for 8-naphthalen-2-yl-5-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzo[c]phenanthrene?
The canonical SMILES for 8-naphthalen-2-yl-5-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzo[c]phenanthrene is c1ccc2c(c1)-c1ccc(-c3cc4cc(-c5ccc6ccccc6c5)c5ccccc5c4c4ccccc34)cc1C21CCCC1.
What is the InChIKey of 8-naphthalen-2-yl-5-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzo[c]phenanthrene?
The InChIKey is NWUQFWXJXJOVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32/c1-2-12-30-25-31(20-19-29(30)11-1)40-26-33-27-41(35-14-4-6-17-39(35)44(33)38-16-5-3-13-34(38)40)32-21-22-37-36-15-7-8-18-42(36)45(43(37)28-32)23-9-10-24-45/h1-8,11-22,25-28H,9-10,23-24H2.
What are the key properties of 8-naphthalen-2-yl-5-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzo[c]phenanthrene?
8-naphthalen-2-yl-5-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzo[c]phenanthrene has a molecular weight of 572.75 g/mol, XLogP of 12.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-naphthalen-2-yl-5-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzo[c]phenanthrene is sourced from PubChem (CID 59282253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).