10-[2',7,7'-tri(phenoxazin-10-yl)-9,9'-spirobi[fluorene]-2-yl]phenoxazine

C73H44N4O4 — CID 89473061

IUPAC10-[2',7,7'-tri(phenoxazin-10-yl)-9,9'-spirobi[fluorene]-2-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)C1(c3cc(N4c5ccccc5Oc5ccccc54)ccc3-2)c2cc(N3c4ccccc4Oc4ccccc43)ccc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc21
InChIInChI=1S/C73H44N4O4/c1-9-25-65-57(17-1)74(58-18-2-10-26-66(58)78-65)45-33-37-49-50-38-34-46(75-59-19-3-11-27-67(59)79-68-28-12-4-20-60(68)75)42-54(50)73(53(49)41-45)55-43-47(76-61-21-5-13-29-69(61)80-70-30-14-6-22-62(70)76)35-39-51(55)52-40-36-48(44-56(52)73)77-63-23-7-15-31-71(63)81-72-32-16-8-24-64(72)77/h1-44H
InChIKeyGJYLHAOEFIILCC-UHFFFAOYSA-N
MW1041.18 g/mol
LogP20.33
Rot. Bonds4

About 10-[2',7,7'-tri(phenoxazin-10-yl)-9,9'-spirobi[fluorene]-2-yl]phenoxazine

10-[2',7,7'-tri(phenoxazin-10-yl)-9,9'-spirobi[fluorene]-2-yl]phenoxazine (PubChem CID 89473061) has the molecular formula C73H44N4O4 and a molecular weight of 1041.18 g/mol. Its IUPAC name is 10-[2',7,7'-tri(phenoxazin-10-yl)-9,9'-spirobi[fluorene]-2-yl]phenoxazine.

Molecular Properties

Compound Name10-[2',7,7'-tri(phenoxazin-10-yl)-9,9'-spirobi[fluorene]-2-yl]phenoxazine
PubChem CID89473061
Molecular FormulaC73H44N4O4
Molecular Weight1041.18 g/mol
Exact Mass1040.34
IUPAC Name10-[2',7,7'-tri(phenoxazin-10-yl)-9,9'-spirobi[fluorene]-2-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)C1(c3cc(N4c5ccccc5Oc5ccccc54)ccc3-2)c2cc(N3c4ccccc4Oc4ccccc43)ccc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc21
InChIInChI=1S/C73H44N4O4/c1-9-25-65-57(17-1)74(58-18-2-10-26-66(58)78-65)45-33-37-49-50-38-34-46(75-59-19-3-11-27-67(59)79-68-28-12-4-20-60(68)75)42-54(50)73(53(49)41-45)55-43-47(76-61-21-5-13-29-69(61)80-70-30-14-6-22-62(70)76)35-39-51(55)52-40-36-48(44-56(52)73)77-63-23-7-15-31-71(63)81-72-32-16-8-24-64(72)77/h1-44H
InChIKeyGJYLHAOEFIILCC-UHFFFAOYSA-N
XLogP20.33
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.18
LogP ≤ 520.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 10-[2',7,7'-tri(phenoxazin-10-yl)-9,9'-spirobi[fluorene]-2-yl]phenoxazine?
The IUPAC name of 10-[2',7,7'-tri(phenoxazin-10-yl)-9,9'-spirobi[fluorene]-2-yl]phenoxazine (CID 89473061) is 10-[2',7,7'-tri(phenoxazin-10-yl)-9,9'-spirobi[fluorene]-2-yl]phenoxazine.
What is the SMILES notation for 10-[2',7,7'-tri(phenoxazin-10-yl)-9,9'-spirobi[fluorene]-2-yl]phenoxazine?
The canonical SMILES for 10-[2',7,7'-tri(phenoxazin-10-yl)-9,9'-spirobi[fluorene]-2-yl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)C1(c3cc(N4c5ccccc5Oc5ccccc54)ccc3-2)c2cc(N3c4ccccc4Oc4ccccc43)ccc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc21.
What is the InChIKey of 10-[2',7,7'-tri(phenoxazin-10-yl)-9,9'-spirobi[fluorene]-2-yl]phenoxazine?
The InChIKey is GJYLHAOEFIILCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H44N4O4/c1-9-25-65-57(17-1)74(58-18-2-10-26-66(58)78-65)45-33-37-49-50-38-34-46(75-59-19-3-11-27-67(59)79-68-28-12-4-20-60(68)75)42-54(50)73(53(49)41-45)55-43-47(76-61-21-5-13-29-69(61)80-70-30-14-6-22-62(70)76)35-39-51(55)52-40-36-48(44-56(52)73)77-63-23-7-15-31-71(63)81-72-32-16-8-24-64(72)77/h1-44H.
What are the key properties of 10-[2',7,7'-tri(phenoxazin-10-yl)-9,9'-spirobi[fluorene]-2-yl]phenoxazine?
10-[2',7,7'-tri(phenoxazin-10-yl)-9,9'-spirobi[fluorene]-2-yl]phenoxazine has a molecular weight of 1041.18 g/mol, XLogP of 20.33, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2',7,7'-tri(phenoxazin-10-yl)-9,9'-spirobi[fluorene]-2-yl]phenoxazine is sourced from PubChem (CID 89473061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).