10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine

C43H27NO3 — CID 118698598

IUPAC10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine
SMILESc1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3cc(N4c5ccccc5Oc5ccccc54)ccc32)cc1
InChIInChI=1S/C43H27NO3/c1-2-12-28(13-3-1)29-22-24-33-41(26-29)45-37-18-8-4-14-31(37)43(33)32-15-5-9-19-38(32)46-42-27-30(23-25-34(42)43)44-35-16-6-10-20-39(35)47-40-21-11-7-17-36(40)44/h1-27H
InChIKeyOOLCYYZNFQSFBY-UHFFFAOYSA-N
MW605.69 g/mol
LogP11.52
Rot. Bonds2

About 10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine

10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine (PubChem CID 118698598) has the molecular formula C43H27NO3 and a molecular weight of 605.69 g/mol. Its IUPAC name is 10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine.

Molecular Properties

Compound Name10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine
PubChem CID118698598
Molecular FormulaC43H27NO3
Molecular Weight605.69 g/mol
Exact Mass605.20
IUPAC Name10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine
SMILESc1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3cc(N4c5ccccc5Oc5ccccc54)ccc32)cc1
InChIInChI=1S/C43H27NO3/c1-2-12-28(13-3-1)29-22-24-33-41(26-29)45-37-18-8-4-14-31(37)43(33)32-15-5-9-19-38(32)46-42-27-30(23-25-34(42)43)44-35-16-6-10-20-39(35)47-40-21-11-7-17-36(40)44/h1-27H
InChIKeyOOLCYYZNFQSFBY-UHFFFAOYSA-N
XLogP11.52
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.69
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118
2',7'-diphenyl-9,9'-spirobi[xanthene]
CID 118698131
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
CID 146495452
CID 146495452
CID 144851814
CID 144851814
N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline
CID 122425451
N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 122425440
10-[4-[2-[4-(3'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,3,4-tetrahydroquinazolin-4-yl]phenyl]phenoxazine
CID 146321805
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262
11-phenyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 140893612
5-[3-(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-yl)-5-phenylphenyl]-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-nonaene
CID 134552129
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104

Frequently Asked Questions

What is the IUPAC name of 10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine?
The IUPAC name of 10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine (CID 118698598) is 10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine.
What is the SMILES notation for 10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine?
The canonical SMILES for 10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine is c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3cc(N4c5ccccc5Oc5ccccc54)ccc32)cc1.
What is the InChIKey of 10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine?
The InChIKey is OOLCYYZNFQSFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NO3/c1-2-12-28(13-3-1)29-22-24-33-41(26-29)45-37-18-8-4-14-31(37)43(33)32-15-5-9-19-38(32)46-42-27-30(23-25-34(42)43)44-35-16-6-10-20-39(35)47-40-21-11-7-17-36(40)44/h1-27H.
What are the key properties of 10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine?
10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine has a molecular weight of 605.69 g/mol, XLogP of 11.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine is sourced from PubChem (CID 118698598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).