4-naphthalen-1-yl-1-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran

C44H34O — CID 168803856

IUPAC4-naphthalen-1-yl-1-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran
SMILESc1ccc2c(c1)-c1cc(-c3ccc(-c4cccc5ccccc45)c4oc5ccccc5c34)ccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C44H34O/c1-2-10-32-28(8-1)9-7-13-34(32)36-18-17-33(42-37-12-4-6-15-41(37)45-43(36)42)29-16-19-40-38(25-29)35-11-3-5-14-39(35)44(40)30-21-26-20-27(23-30)24-31(44)22-26/h1-19,25-27,30-31H,20-24H2
InChIKeyYHRULKRDECTOTD-UHFFFAOYSA-N
MW578.76 g/mol
LogP11.80
Rot. Bonds2

About 4-naphthalen-1-yl-1-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran

4-naphthalen-1-yl-1-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran (PubChem CID 168803856) has the molecular formula C44H34O and a molecular weight of 578.76 g/mol. Its IUPAC name is 4-naphthalen-1-yl-1-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran.

Molecular Properties

Compound Name4-naphthalen-1-yl-1-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran
PubChem CID168803856
Molecular FormulaC44H34O
Molecular Weight578.76 g/mol
Exact Mass578.26
IUPAC Name4-naphthalen-1-yl-1-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran
SMILESc1ccc2c(c1)-c1cc(-c3ccc(-c4cccc5ccccc45)c4oc5ccccc5c34)ccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C44H34O/c1-2-10-32-28(8-1)9-7-13-34(32)36-18-17-33(42-37-12-4-6-15-41(37)45-43(36)42)29-16-19-40-38(25-29)35-11-3-5-14-39(35)44(40)30-21-26-20-27(23-30)24-31(44)22-26/h1-19,25-27,30-31H,20-24H2
InChIKeyYHRULKRDECTOTD-UHFFFAOYSA-N
XLogP11.80
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.76
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-phenanthren-2-ylphenyl)-4-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran
CID 168803567
N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine
CID 156573602
2-[4-(6'-dibenzofuran-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)phenyl]dibenzofuran
CID 168803731
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573656
spiro[adamantane-2,12'-fluoreno[1,2-b][1]benzofuran]
CID 168834609
2-(3-dibenzofuran-1-ylphenyl)-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353552
7-(10-spiro[adamantane-2,9'-fluorene]-3'-ylanthracen-9-yl)-1H-indole
CID 167165207
2-(6'-dibenzofuran-1-yl-7-ethyl-3-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 170047048
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine
CID 156568019
2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine
CID 167353781
N-(4-phenylphenyl)-N-[4-[3-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]dibenzofuran-1-amine;N-(4-phenylphenyl)-N-[4-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[4-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]dibenzofuran-2-amine;N-(4-phenylphenyl)-N-[4-[4-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 163902822
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170216623

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-1-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran?
The IUPAC name of 4-naphthalen-1-yl-1-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran (CID 168803856) is 4-naphthalen-1-yl-1-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran.
What is the SMILES notation for 4-naphthalen-1-yl-1-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran?
The canonical SMILES for 4-naphthalen-1-yl-1-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran is c1ccc2c(c1)-c1cc(-c3ccc(-c4cccc5ccccc45)c4oc5ccccc5c34)ccc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 4-naphthalen-1-yl-1-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran?
The InChIKey is YHRULKRDECTOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34O/c1-2-10-32-28(8-1)9-7-13-34(32)36-18-17-33(42-37-12-4-6-15-41(37)45-43(36)42)29-16-19-40-38(25-29)35-11-3-5-14-39(35)44(40)30-21-26-20-27(23-30)24-31(44)22-26/h1-19,25-27,30-31H,20-24H2.
What are the key properties of 4-naphthalen-1-yl-1-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran?
4-naphthalen-1-yl-1-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran has a molecular weight of 578.76 g/mol, XLogP of 11.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-1-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran is sourced from PubChem (CID 168803856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).