10-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenoxazine

C39H27NO2 — CID 145009575

IUPAC10-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenoxazine
SMILESCC1(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc21
InChIInChI=1S/C39H27NO2/c1-39(2)31-22-25(24-16-20-36-30(21-24)29-9-3-6-12-35(29)41-36)15-18-27(31)28-19-17-26(23-32(28)39)40-33-10-4-7-13-37(33)42-38-14-8-5-11-34(38)40/h3-23H,1-2H3
InChIKeyYHQCCMZCVWGQBM-UHFFFAOYSA-N
MW541.65 g/mol
LogP11.13
Rot. Bonds2

About 10-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenoxazine

10-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenoxazine (PubChem CID 145009575) has the molecular formula C39H27NO2 and a molecular weight of 541.65 g/mol. Its IUPAC name is 10-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenoxazine.

Molecular Properties

Compound Name10-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenoxazine
PubChem CID145009575
Molecular FormulaC39H27NO2
Molecular Weight541.65 g/mol
Exact Mass541.20
IUPAC Name10-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenoxazine
SMILESCC1(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc21
InChIInChI=1S/C39H27NO2/c1-39(2)31-22-25(24-16-20-36-30(21-24)29-9-3-6-12-35(29)41-36)15-18-27(31)28-19-17-26(23-32(28)39)40-33-10-4-7-13-37(33)42-38-14-8-5-11-34(38)40/h3-23H,1-2H3
InChIKeyYHQCCMZCVWGQBM-UHFFFAOYSA-N
XLogP11.13
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.65
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

17-dibenzofuran-2-yl-21-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene
CID 144635189
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
2-(10-dibenzofuran-2-yl-9,9-dimethylacridin-2-yl)-9,9-dimethyl-10-phenylacridine
CID 70936026
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;7-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-2-amine;N,N,4-tris(4-dibenzofuran-2-ylphenyl)aniline
CID 158947437
10-[4-[4-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]phenyl]naphthalen-1-yl]phenoxazine
CID 90764809
10-[8-[2-[8-(9,9-dimethylacridin-10-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9,9-dimethylacridine
CID 90352239
10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-2-phenylacridine
CID 71003986
4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
CID 67964226
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159384887
9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole
CID 118098800
2-dibenzofuran-2-yl-10-[4-(4-fluorophenyl)phenyl]-9,9-dimethyl-7-phenylacridine
CID 71003823
9-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]-3,6-diphenylcarbazole
CID 118098891

Frequently Asked Questions

What is the IUPAC name of 10-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenoxazine?
The IUPAC name of 10-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenoxazine (CID 145009575) is 10-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenoxazine.
What is the SMILES notation for 10-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenoxazine?
The canonical SMILES for 10-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenoxazine is CC1(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc21.
What is the InChIKey of 10-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenoxazine?
The InChIKey is YHQCCMZCVWGQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27NO2/c1-39(2)31-22-25(24-16-20-36-30(21-24)29-9-3-6-12-35(29)41-36)15-18-27(31)28-19-17-26(23-32(28)39)40-33-10-4-7-13-37(33)42-38-14-8-5-11-34(38)40/h3-23H,1-2H3.
What are the key properties of 10-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenoxazine?
10-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenoxazine has a molecular weight of 541.65 g/mol, XLogP of 11.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenoxazine is sourced from PubChem (CID 145009575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).