2-[4-(6'-dibenzofuran-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)phenyl]dibenzofuran

C52H38O2 — CID 168803731

IUPAC2-[4-(6'-dibenzofuran-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)phenyl]dibenzofuran
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc5c(c4)-c4cc(-c6cccc7c6oc6ccccc67)ccc4C54C5CC6CC(C5)CC4C6)cc3)cc12
InChIInChI=1S/C52H38O2/c1-4-11-49-40(6-1)42-9-5-8-39(51(42)54-49)36-17-20-47-44(29-36)43-27-34(16-19-46(43)52(47)37-23-30-22-31(25-37)26-38(52)24-30)32-12-14-33(15-13-32)35-18-21-50-45(28-35)41-7-2-3-10-48(41)53-50/h1-21,27-31,37-38H,22-26H2
InChIKeyGWPZKLABAQFQJO-UHFFFAOYSA-N
MW694.87 g/mol
LogP14.21
Rot. Bonds3

About 2-[4-(6'-dibenzofuran-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)phenyl]dibenzofuran

2-[4-(6'-dibenzofuran-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)phenyl]dibenzofuran (PubChem CID 168803731) has the molecular formula C52H38O2 and a molecular weight of 694.87 g/mol. Its IUPAC name is 2-[4-(6'-dibenzofuran-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name2-[4-(6'-dibenzofuran-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)phenyl]dibenzofuran
PubChem CID168803731
Molecular FormulaC52H38O2
Molecular Weight694.87 g/mol
Exact Mass694.29
IUPAC Name2-[4-(6'-dibenzofuran-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)phenyl]dibenzofuran
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc5c(c4)-c4cc(-c6cccc7c6oc6ccccc67)ccc4C54C5CC6CC(C5)CC4C6)cc3)cc12
InChIInChI=1S/C52H38O2/c1-4-11-49-40(6-1)42-9-5-8-39(51(42)54-49)36-17-20-47-44(29-36)43-27-34(16-19-46(43)52(47)37-23-30-22-31(25-37)26-38(52)24-30)32-12-14-33(15-13-32)35-18-21-50-45(28-35)41-7-2-3-10-48(41)53-50/h1-21,27-31,37-38H,22-26H2
InChIKeyGWPZKLABAQFQJO-UHFFFAOYSA-N
XLogP14.21
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.87
LogP ≤ 514.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8'-[8-(3-diphenylphosphorylphenyl)dibenzofuran-4-yl]spiro[adamantane-2,5'-indeno[1,2-b]pyridine]
CID 167268531
2-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-phenylphenyl)phenyl]-6-spiro[adamantane-2,12'-indeno[2,1-a]oxanthrene]-9'-yl-1,3,5-triazine
CID 168834420
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573656
N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine
CID 163638025
2-[3-dibenzofuran-2-yl-5-(6'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164811674
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
1-(4-phenanthren-2-ylphenyl)-4-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran
CID 168803567
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-spiro[adamantane-2,9'-xanthene]-3'-yl-1,3,5-triazine
CID 166017896
3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810057
4-naphthalen-1-yl-1-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran
CID 168803856
2,4-di(dibenzofuran-4-yl)-6-(7'-dibenzothiophen-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)-1,3,5-triazine
CID 168803803
2-[4-(7'-dibenzofuran-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168803633

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6'-dibenzofuran-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)phenyl]dibenzofuran?
The IUPAC name of 2-[4-(6'-dibenzofuran-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)phenyl]dibenzofuran (CID 168803731) is 2-[4-(6'-dibenzofuran-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)phenyl]dibenzofuran.
What is the SMILES notation for 2-[4-(6'-dibenzofuran-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)phenyl]dibenzofuran?
The canonical SMILES for 2-[4-(6'-dibenzofuran-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)phenyl]dibenzofuran is c1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc5c(c4)-c4cc(-c6cccc7c6oc6ccccc67)ccc4C54C5CC6CC(C5)CC4C6)cc3)cc12.
What is the InChIKey of 2-[4-(6'-dibenzofuran-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)phenyl]dibenzofuran?
The InChIKey is GWPZKLABAQFQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38O2/c1-4-11-49-40(6-1)42-9-5-8-39(51(42)54-49)36-17-20-47-44(29-36)43-27-34(16-19-46(43)52(47)37-23-30-22-31(25-37)26-38(52)24-30)32-12-14-33(15-13-32)35-18-21-50-45(28-35)41-7-2-3-10-48(41)53-50/h1-21,27-31,37-38H,22-26H2.
What are the key properties of 2-[4-(6'-dibenzofuran-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)phenyl]dibenzofuran?
2-[4-(6'-dibenzofuran-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)phenyl]dibenzofuran has a molecular weight of 694.87 g/mol, XLogP of 14.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6'-dibenzofuran-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)phenyl]dibenzofuran is sourced from PubChem (CID 168803731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).