10-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenoxazine

C43H25NO2 — CID 171799143

IUPAC10-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1c2c(cc3c1oc1ccccc13)-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C43H25NO2/c1-5-17-32-26(13-1)27-14-2-6-18-33(27)43(32)34-19-7-3-15-28(34)30-25-31-29-16-4-10-22-37(29)46-42(31)41(40(30)43)44-35-20-8-11-23-38(35)45-39-24-12-9-21-36(39)44/h1-25H
InChIKeyFPCHHXDGRCFPHJ-UHFFFAOYSA-N
MW587.68 g/mol
LogP11.51
Rot. Bonds1

About 10-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenoxazine

10-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenoxazine (PubChem CID 171799143) has the molecular formula C43H25NO2 and a molecular weight of 587.68 g/mol. Its IUPAC name is 10-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenoxazine.

Molecular Properties

Compound Name10-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenoxazine
PubChem CID171799143
Molecular FormulaC43H25NO2
Molecular Weight587.68 g/mol
Exact Mass587.19
IUPAC Name10-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1c2c(cc3c1oc1ccccc13)-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C43H25NO2/c1-5-17-32-26(13-1)27-14-2-6-18-33(27)43(32)34-19-7-3-15-28(34)30-25-31-29-16-4-10-22-37(29)46-42(31)41(40(30)43)44-35-20-8-11-23-38(35)45-39-24-12-9-21-36(39)44/h1-25H
InChIKeyFPCHHXDGRCFPHJ-UHFFFAOYSA-N
XLogP11.51
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.68
LogP ≤ 511.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-4'-amine
CID 167116671
N-dibenzofuran-2-yl-N-phenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-amine
CID 171799147
N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
CID 155428415
33,33-dimethyl-7,17-dioxa-14,41-diaza-1-boradodecacyclo[24.15.1.12,6.127,31.08,13.015,42.016,24.018,23.032,40.034,39.014,44.041,43]tetratetraconta-2(44),3,5,8,10,12,15,18,20,22,24,26(42),27,29,31(43),32(40),34,36,38-nonadecaene
CID 174128866
14'-phenylspiro[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,10'-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-21-one
CID 164757668
3'-[2-(2-dibenzofuran-4-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177297795
9-dibenzofuran-4-yl-3-spiro[fluorene-9,9'-xanthene]-3-ylcarbazole
CID 163426204
CID 146495452
CID 146495452
10-[3-carbazol-9-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]phenoxazine
CID 155120100
3,7-diphenyl-10-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenoxazine
CID 121444463
N-(3-naphthalen-1-yl-5-spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-4'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167116452
N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475955

Frequently Asked Questions

What is the IUPAC name of 10-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenoxazine?
The IUPAC name of 10-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenoxazine (CID 171799143) is 10-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenoxazine.
What is the SMILES notation for 10-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenoxazine?
The canonical SMILES for 10-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1c2c(cc3c1oc1ccccc13)-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 10-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenoxazine?
The InChIKey is FPCHHXDGRCFPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25NO2/c1-5-17-32-26(13-1)27-14-2-6-18-33(27)43(32)34-19-7-3-15-28(34)30-25-31-29-16-4-10-22-37(29)46-42(31)41(40(30)43)44-35-20-8-11-23-38(35)45-39-24-12-9-21-36(39)44/h1-25H.
What are the key properties of 10-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenoxazine?
10-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenoxazine has a molecular weight of 587.68 g/mol, XLogP of 11.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenoxazine is sourced from PubChem (CID 171799143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).