3,7-ditert-butyldibenzofuran;2,7-ditert-butyl-9,9-difluorofluorene;2,7-ditert-butyl-9H-fluorene;3,10-ditert-butyl-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine

C91H105F2NO2 — CID 158197145

IUPAC3,7-ditert-butyldibenzofuran;2,7-ditert-butyl-9,9-difluorofluorene;2,7-ditert-butyl-9H-fluorene;3,10-ditert-butyl-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine
SMILESCC(C)(C)c1ccc2c(c1)C(F)(F)c1cc(C(C)(C)C)ccc1-2.CC(C)(C)c1ccc2c(c1)Cc1cc(C(C)(C)C)ccc1-2.CC(C)(C)c1ccc2c(c1)OC(c1ccccc1)n1c-2cc2cc(C(C)(C)C)ccc21.CC(C)(C)c1ccc2c(c1)oc1cc(C(C)(C)C)ccc12
InChIInChI=1S/C29H31NO.C21H24F2.C21H26.C20H24O/c1-28(2,3)21-13-15-24-20(16-21)17-25-23-14-12-22(29(4,5)6)18-26(23)31-27(30(24)25)19-10-8-7-9-11-19;1-19(2,3)13-7-9-15-16-10-8-14(20(4,5)6)12-18(16)21(22,23)17(15)11-13;1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18;1-19(2,3)13-7-9-15-16-10-8-14(20(4,5)6)12-18(16)21-17(15)11-13/h7-18,27H,1-6H3;7-12H,1-6H3;7-10,12-13H,11H2,1-6H3;7-12H,1-6H3
InChIKeyGAMAQXKXQCHUQT-UHFFFAOYSA-N
MW1282.84 g/mol
LogP26.28
Rot. Bonds1

About 3,7-ditert-butyldibenzofuran;2,7-ditert-butyl-9,9-difluorofluorene;2,7-ditert-butyl-9H-fluorene;3,10-ditert-butyl-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine

3,7-ditert-butyldibenzofuran;2,7-ditert-butyl-9,9-difluorofluorene;2,7-ditert-butyl-9H-fluorene;3,10-ditert-butyl-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine (PubChem CID 158197145) has the molecular formula C91H105F2NO2 and a molecular weight of 1282.84 g/mol. Its IUPAC name is 3,7-ditert-butyldibenzofuran;2,7-ditert-butyl-9,9-difluorofluorene;2,7-ditert-butyl-9H-fluorene;3,10-ditert-butyl-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine.

Molecular Properties

Compound Name3,7-ditert-butyldibenzofuran;2,7-ditert-butyl-9,9-difluorofluorene;2,7-ditert-butyl-9H-fluorene;3,10-ditert-butyl-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine
PubChem CID158197145
Molecular FormulaC91H105F2NO2
Molecular Weight1282.84 g/mol
Exact Mass1281.81
IUPAC Name3,7-ditert-butyldibenzofuran;2,7-ditert-butyl-9,9-difluorofluorene;2,7-ditert-butyl-9H-fluorene;3,10-ditert-butyl-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine
SMILESCC(C)(C)c1ccc2c(c1)C(F)(F)c1cc(C(C)(C)C)ccc1-2.CC(C)(C)c1ccc2c(c1)Cc1cc(C(C)(C)C)ccc1-2.CC(C)(C)c1ccc2c(c1)OC(c1ccccc1)n1c-2cc2cc(C(C)(C)C)ccc21.CC(C)(C)c1ccc2c(c1)oc1cc(C(C)(C)C)ccc12
InChIInChI=1S/C29H31NO.C21H24F2.C21H26.C20H24O/c1-28(2,3)21-13-15-24-20(16-21)17-25-23-14-12-22(29(4,5)6)18-26(23)31-27(30(24)25)19-10-8-7-9-11-19;1-19(2,3)13-7-9-15-16-10-8-14(20(4,5)6)12-18(16)21(22,23)17(15)11-13;1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18;1-19(2,3)13-7-9-15-16-10-8-14(20(4,5)6)12-18(16)21-17(15)11-13/h7-18,27H,1-6H3;7-12H,1-6H3;7-10,12-13H,11H2,1-6H3;7-12H,1-6H3
InChIKeyGAMAQXKXQCHUQT-UHFFFAOYSA-N
XLogP26.28
TPSA27.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001282.84
LogP ≤ 526.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,7-ditert-butyldibenzofuran;2,7-ditert-butyl-9,9-difluorofluorene;2,7-ditert-butyl-9H-fluorene;3,10-ditert-butyl-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine with MolForge

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Related Compounds

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CID 134948701
[2-[(9-ethylcarbazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 67594835
19-[7-(2,3,4,5,6-Pentafluorophenyl)dibenzofuran-3-yl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
CID 87414569
1-{11-(2-ethylhexyl)-5-[4-(6-{4-[11-(2-ethylhexyl)-8-(3,5,5-trimethyl-hexanoyl)-11H-benzo[a]carbazole-5-carbonyl]-phenoxy}-2,2,3,3,4,4,5,5-octafluoro-hexyloxy)-benzoyl]-11H-benzo[a]carbazol-8-yl}-3,5,5-trimethyl-hexan-1-one
CID 89627666
[(Z)-[[11-[6-[8-[(Z)-N-acetyloxy-C-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]carbonimidoyl]-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-11-yl]hexyl]-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate
CID 89627680
[2-[6-[2-[11-(2-Ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazole-8-carbonyl]phenoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]phenyl]-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]methanone
CID 89627733
[11-(2-ethylhexyl)-8-[(E)-C-[2-[6-[2-[(E)-C-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-N-hydroxycarbonimidoyl]phenoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]phenyl]-N-hydroxycarbonimidoyl]benzo[a]carbazol-5-yl]-(2,4,6-trimethylphenyl)methanone
CID 89627735
[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate
CID 89707517
[2-[6-[2-[9-Ethyl-6-(2,4,6-trimethylbenzoyl)carbazole-3-carbonyl]phenoxy]-2,2,3,3,4,4,5,5-octafluoro-hexoxy]phenyl]-[9-ethyl-6-(2,4,6-trimethylbenzoyl)-carbazol-3-yl]methanone
CID 90011335
[9-ethyl-6-[C-[2-[6-[2-[C-[9-ethyl-6-(2,4,6-trimethylbenzoyl)carbazol-3-yl]-N-hydroxy-carbonimidoyl]phenoxy]-2,2,3,3,4,4,5,5-octafluoro-hexoxy]phenyl]-N-hydroxy-carbonimidoyl]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone
CID 90011841
3-Dibenzofuran-4-yl-9-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 90180764
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline
CID 90194020

Frequently Asked Questions

What is the IUPAC name of 3,7-ditert-butyldibenzofuran;2,7-ditert-butyl-9,9-difluorofluorene;2,7-ditert-butyl-9H-fluorene;3,10-ditert-butyl-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine?
The IUPAC name of 3,7-ditert-butyldibenzofuran;2,7-ditert-butyl-9,9-difluorofluorene;2,7-ditert-butyl-9H-fluorene;3,10-ditert-butyl-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine (CID 158197145) is 3,7-ditert-butyldibenzofuran;2,7-ditert-butyl-9,9-difluorofluorene;2,7-ditert-butyl-9H-fluorene;3,10-ditert-butyl-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine.
What is the SMILES notation for 3,7-ditert-butyldibenzofuran;2,7-ditert-butyl-9,9-difluorofluorene;2,7-ditert-butyl-9H-fluorene;3,10-ditert-butyl-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine?
The canonical SMILES for 3,7-ditert-butyldibenzofuran;2,7-ditert-butyl-9,9-difluorofluorene;2,7-ditert-butyl-9H-fluorene;3,10-ditert-butyl-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine is CC(C)(C)c1ccc2c(c1)C(F)(F)c1cc(C(C)(C)C)ccc1-2.CC(C)(C)c1ccc2c(c1)Cc1cc(C(C)(C)C)ccc1-2.CC(C)(C)c1ccc2c(c1)OC(c1ccccc1)n1c-2cc2cc(C(C)(C)C)ccc21.CC(C)(C)c1ccc2c(c1)oc1cc(C(C)(C)C)ccc12.
What is the InChIKey of 3,7-ditert-butyldibenzofuran;2,7-ditert-butyl-9,9-difluorofluorene;2,7-ditert-butyl-9H-fluorene;3,10-ditert-butyl-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine?
The InChIKey is GAMAQXKXQCHUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31NO.C21H24F2.C21H26.C20H24O/c1-28(2,3)21-13-15-24-20(16-21)17-25-23-14-12-22(29(4,5)6)18-26(23)31-27(30(24)25)19-10-8-7-9-11-19;1-19(2,3)13-7-9-15-16-10-8-14(20(4,5)6)12-18(16)21(22,23)17(15)11-13;1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18;1-19(2,3)13-7-9-15-16-10-8-14(20(4,5)6)12-18(16)21-17(15)11-13/h7-18,27H,1-6H3;7-12H,1-6H3;7-10,12-13H,11H2,1-6H3;7-12H,1-6H3.
What are the key properties of 3,7-ditert-butyldibenzofuran;2,7-ditert-butyl-9,9-difluorofluorene;2,7-ditert-butyl-9H-fluorene;3,10-ditert-butyl-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine?
3,7-ditert-butyldibenzofuran;2,7-ditert-butyl-9,9-difluorofluorene;2,7-ditert-butyl-9H-fluorene;3,10-ditert-butyl-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine has a molecular weight of 1282.84 g/mol, XLogP of 26.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-ditert-butyldibenzofuran;2,7-ditert-butyl-9,9-difluorofluorene;2,7-ditert-butyl-9H-fluorene;3,10-ditert-butyl-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine is sourced from PubChem (CID 158197145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).