1',3-di(propan-2-yl)-9,9'-spirobi[fluorene];1,6-di(propan-2-yl)-9,9'-spirobi[fluorene];1',8'-di(propan-2-yl)-9,9'-spirobi[fluorene];2,6-di(propan-2-yl)-9,9'-spirobi[fluorene];2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,3'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]

C217H196 — CID 159493232

IUPAC1',3-di(propan-2-yl)-9,9'-spirobi[fluorene];1,6-di(propan-2-yl)-9,9'-spirobi[fluorene];1',8'-di(propan-2-yl)-9,9'-spirobi[fluorene];2,6-di(propan-2-yl)-9,9'-spirobi[fluorene];2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,3'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]
SMILESCC(C)c1ccc2c(c1)-c1cc(C(C)C)ccc1C21c2ccccc2-c2ccccc21.CC(C)c1ccc2c(c1)-c1ccc(C(C)C)cc1C21c2ccccc2-c2ccccc21.CC(C)c1ccc2c(c1)-c1cccc(C(C)C)c1C21c2ccccc2-c2ccccc21.CC(C)c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(C(C)C)ccc21.CC(C)c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cccc(C(C)C)c21.CC(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C(C)C)ccc1-2.CC(C)c1cccc2c1C1(c3ccccc3-c3ccccc31)c1c-2cccc1C(C)C
InChIInChI=1S/7C31H28/c1-19(2)21-13-9-15-25-26-16-10-14-22(20(3)4)30(26)31(29(21)25)27-17-7-5-11-23(27)24-12-6-8-18-28(24)31;1-19(2)21-16-17-29-26(18-21)24-11-6-8-15-28(24)31(29)27-14-7-5-10-23(27)25-13-9-12-22(20(3)4)30(25)31;1-19(2)21-16-17-29-26(18-21)25-13-9-12-22(20(3)4)30(25)31(29)27-14-7-5-10-23(27)24-11-6-8-15-28(24)31;1-19(2)21-14-16-29-26(17-21)25-15-13-22(20(3)4)18-30(25)31(29)27-11-7-5-9-23(27)24-10-6-8-12-28(24)31;1-19(2)21-13-15-29-25(17-21)23-9-5-7-11-27(23)31(29)28-12-8-6-10-24(28)26-18-22(20(3)4)14-16-30(26)31;1-19(2)21-13-15-29-25(17-21)26-18-22(20(3)4)14-16-30(26)31(29)27-11-7-5-9-23(27)24-10-6-8-12-28(24)31;1-19(2)21-13-15-25-26-16-14-22(20(3)4)18-30(26)31(29(25)17-21)27-11-7-5-9-23(27)24-10-6-8-12-28(24)31/h7*5-20H,1-4H3
InChIKeyLYLNKVUDSDHJTK-UHFFFAOYSA-N
MW2803.95 g/mol
LogP57.94
Rot. Bonds14

About 1',3-di(propan-2-yl)-9,9'-spirobi[fluorene];1,6-di(propan-2-yl)-9,9'-spirobi[fluorene];1',8'-di(propan-2-yl)-9,9'-spirobi[fluorene];2,6-di(propan-2-yl)-9,9'-spirobi[fluorene];2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,3'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]

1',3-di(propan-2-yl)-9,9'-spirobi[fluorene];1,6-di(propan-2-yl)-9,9'-spirobi[fluorene];1',8'-di(propan-2-yl)-9,9'-spirobi[fluorene];2,6-di(propan-2-yl)-9,9'-spirobi[fluorene];2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,3'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,6-di(propan-2-yl)-9,9'-spirobi[fluorene] (PubChem CID 159493232) has the molecular formula C217H196 and a molecular weight of 2803.95 g/mol. Its IUPAC name is 1',3-di(propan-2-yl)-9,9'-spirobi[fluorene];1,6-di(propan-2-yl)-9,9'-spirobi[fluorene];1',8'-di(propan-2-yl)-9,9'-spirobi[fluorene];2,6-di(propan-2-yl)-9,9'-spirobi[fluorene];2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,3'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,6-di(propan-2-yl)-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name1',3-di(propan-2-yl)-9,9'-spirobi[fluorene];1,6-di(propan-2-yl)-9,9'-spirobi[fluorene];1',8'-di(propan-2-yl)-9,9'-spirobi[fluorene];2,6-di(propan-2-yl)-9,9'-spirobi[fluorene];2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,3'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]
PubChem CID159493232
Molecular FormulaC217H196
Molecular Weight2803.95 g/mol
Exact Mass2801.53
IUPAC Name1',3-di(propan-2-yl)-9,9'-spirobi[fluorene];1,6-di(propan-2-yl)-9,9'-spirobi[fluorene];1',8'-di(propan-2-yl)-9,9'-spirobi[fluorene];2,6-di(propan-2-yl)-9,9'-spirobi[fluorene];2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,3'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]
SMILESCC(C)c1ccc2c(c1)-c1cc(C(C)C)ccc1C21c2ccccc2-c2ccccc21.CC(C)c1ccc2c(c1)-c1ccc(C(C)C)cc1C21c2ccccc2-c2ccccc21.CC(C)c1ccc2c(c1)-c1cccc(C(C)C)c1C21c2ccccc2-c2ccccc21.CC(C)c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(C(C)C)ccc21.CC(C)c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cccc(C(C)C)c21.CC(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C(C)C)ccc1-2.CC(C)c1cccc2c1C1(c3ccccc3-c3ccccc31)c1c-2cccc1C(C)C
InChIInChI=1S/7C31H28/c1-19(2)21-13-9-15-25-26-16-10-14-22(20(3)4)30(26)31(29(21)25)27-17-7-5-11-23(27)24-12-6-8-18-28(24)31;1-19(2)21-16-17-29-26(18-21)24-11-6-8-15-28(24)31(29)27-14-7-5-10-23(27)25-13-9-12-22(20(3)4)30(25)31;1-19(2)21-16-17-29-26(18-21)25-13-9-12-22(20(3)4)30(25)31(29)27-14-7-5-10-23(27)24-11-6-8-15-28(24)31;1-19(2)21-14-16-29-26(17-21)25-15-13-22(20(3)4)18-30(25)31(29)27-11-7-5-9-23(27)24-10-6-8-12-28(24)31;1-19(2)21-13-15-29-25(17-21)23-9-5-7-11-27(23)31(29)28-12-8-6-10-24(28)26-18-22(20(3)4)14-16-30(26)31;1-19(2)21-13-15-29-25(17-21)26-18-22(20(3)4)14-16-30(26)31(29)27-11-7-5-9-23(27)24-10-6-8-12-28(24)31;1-19(2)21-13-15-25-26-16-14-22(20(3)4)18-30(26)31(29(25)17-21)27-11-7-5-9-23(27)24-10-6-8-12-28(24)31/h7*5-20H,1-4H3
InChIKeyLYLNKVUDSDHJTK-UHFFFAOYSA-N
XLogP57.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms217
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002803.95
LogP ≤ 557.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1',3-di(propan-2-yl)-9,9'-spirobi[fluorene];1,6-di(propan-2-yl)-9,9'-spirobi[fluorene];1',8'-di(propan-2-yl)-9,9'-spirobi[fluorene];2,6-di(propan-2-yl)-9,9'-spirobi[fluorene];2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,3'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,6-di(propan-2-yl)-9,9'-spirobi[fluorene] with MolForge

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Related Compounds

9,9-dimethyl-1,6-di(propan-2-yl)fluorene
CID 158076847
CID 59181861
CID 59181861
2-tert-butyl-N-[3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-10,10-dimethyl-N-phenylspiro[anthracene-9,9'-fluorene]-2'-amine
CID 177067137
8-tert-butyl-7,7-dimethylbenzo[c]fluorene;9-tert-butyl-7,7-dimethylbenzo[c]fluorene;10-tert-butyl-7,7-dimethylbenzo[c]fluorene;11,11-dimethyl-1-propan-2-ylbenzo[b]fluorene;11,11-dimethyl-2-propan-2-ylbenzo[b]fluorene;11,11-dimethyl-3-propan-2-ylbenzo[b]fluorene;11,11-dimethyl-4-propan-2-ylbenzo[b]fluorene
CID 159909633
2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]
CID 141243906
CID 102532137
CID 102532137
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
3-[3-(9,9-dimethylfluoren-2-yl)-4-(2-phenylphenyl)butan-2-yl]-6-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)butyl]-9,9'-spirobi[fluorene]
CID 123592677
2-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylmethyl]-6,9,9-triphenylfluorene
CID 142604775
2-[4-[(1R,2S)-1-(9,9-dimethylfluoren-1-yl)-1-(4-phenylphenyl)propan-2-yl]phenyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 145092823
CID 58607554
CID 58607554
3,6-ditert-butyl-9,9'-spirobi[fluorene]
CID 156624536

Frequently Asked Questions

What is the IUPAC name of 1',3-di(propan-2-yl)-9,9'-spirobi[fluorene];1,6-di(propan-2-yl)-9,9'-spirobi[fluorene];1',8'-di(propan-2-yl)-9,9'-spirobi[fluorene];2,6-di(propan-2-yl)-9,9'-spirobi[fluorene];2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,3'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]?
The IUPAC name of 1',3-di(propan-2-yl)-9,9'-spirobi[fluorene];1,6-di(propan-2-yl)-9,9'-spirobi[fluorene];1',8'-di(propan-2-yl)-9,9'-spirobi[fluorene];2,6-di(propan-2-yl)-9,9'-spirobi[fluorene];2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,3'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,6-di(propan-2-yl)-9,9'-spirobi[fluorene] (CID 159493232) is 1',3-di(propan-2-yl)-9,9'-spirobi[fluorene];1,6-di(propan-2-yl)-9,9'-spirobi[fluorene];1',8'-di(propan-2-yl)-9,9'-spirobi[fluorene];2,6-di(propan-2-yl)-9,9'-spirobi[fluorene];2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,3'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,6-di(propan-2-yl)-9,9'-spirobi[fluorene].
What is the SMILES notation for 1',3-di(propan-2-yl)-9,9'-spirobi[fluorene];1,6-di(propan-2-yl)-9,9'-spirobi[fluorene];1',8'-di(propan-2-yl)-9,9'-spirobi[fluorene];2,6-di(propan-2-yl)-9,9'-spirobi[fluorene];2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,3'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]?
The canonical SMILES for 1',3-di(propan-2-yl)-9,9'-spirobi[fluorene];1,6-di(propan-2-yl)-9,9'-spirobi[fluorene];1',8'-di(propan-2-yl)-9,9'-spirobi[fluorene];2,6-di(propan-2-yl)-9,9'-spirobi[fluorene];2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,3'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,6-di(propan-2-yl)-9,9'-spirobi[fluorene] is CC(C)c1ccc2c(c1)-c1cc(C(C)C)ccc1C21c2ccccc2-c2ccccc21.CC(C)c1ccc2c(c1)-c1ccc(C(C)C)cc1C21c2ccccc2-c2ccccc21.CC(C)c1ccc2c(c1)-c1cccc(C(C)C)c1C21c2ccccc2-c2ccccc21.CC(C)c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(C(C)C)ccc21.CC(C)c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cccc(C(C)C)c21.CC(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C(C)C)ccc1-2.CC(C)c1cccc2c1C1(c3ccccc3-c3ccccc31)c1c-2cccc1C(C)C.
What is the InChIKey of 1',3-di(propan-2-yl)-9,9'-spirobi[fluorene];1,6-di(propan-2-yl)-9,9'-spirobi[fluorene];1',8'-di(propan-2-yl)-9,9'-spirobi[fluorene];2,6-di(propan-2-yl)-9,9'-spirobi[fluorene];2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,3'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]?
The InChIKey is LYLNKVUDSDHJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/7C31H28/c1-19(2)21-13-9-15-25-26-16-10-14-22(20(3)4)30(26)31(29(21)25)27-17-7-5-11-23(27)24-12-6-8-18-28(24)31;1-19(2)21-16-17-29-26(18-21)24-11-6-8-15-28(24)31(29)27-14-7-5-10-23(27)25-13-9-12-22(20(3)4)30(25)31;1-19(2)21-16-17-29-26(18-21)25-13-9-12-22(20(3)4)30(25)31(29)27-14-7-5-10-23(27)24-11-6-8-15-28(24)31;1-19(2)21-14-16-29-26(17-21)25-15-13-22(20(3)4)18-30(25)31(29)27-11-7-5-9-23(27)24-10-6-8-12-28(24)31;1-19(2)21-13-15-29-25(17-21)23-9-5-7-11-27(23)31(29)28-12-8-6-10-24(28)26-18-22(20(3)4)14-16-30(26)31;1-19(2)21-13-15-29-25(17-21)26-18-22(20(3)4)14-16-30(26)31(29)27-11-7-5-9-23(27)24-10-6-8-12-28(24)31;1-19(2)21-13-15-25-26-16-14-22(20(3)4)18-30(26)31(29(25)17-21)27-11-7-5-9-23(27)24-10-6-8-12-28(24)31/h7*5-20H,1-4H3.
What are the key properties of 1',3-di(propan-2-yl)-9,9'-spirobi[fluorene];1,6-di(propan-2-yl)-9,9'-spirobi[fluorene];1',8'-di(propan-2-yl)-9,9'-spirobi[fluorene];2,6-di(propan-2-yl)-9,9'-spirobi[fluorene];2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,3'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]?
1',3-di(propan-2-yl)-9,9'-spirobi[fluorene];1,6-di(propan-2-yl)-9,9'-spirobi[fluorene];1',8'-di(propan-2-yl)-9,9'-spirobi[fluorene];2,6-di(propan-2-yl)-9,9'-spirobi[fluorene];2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,3'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,6-di(propan-2-yl)-9,9'-spirobi[fluorene] has a molecular weight of 2803.95 g/mol, XLogP of 57.94, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1',3-di(propan-2-yl)-9,9'-spirobi[fluorene];1,6-di(propan-2-yl)-9,9'-spirobi[fluorene];1',8'-di(propan-2-yl)-9,9'-spirobi[fluorene];2,6-di(propan-2-yl)-9,9'-spirobi[fluorene];2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,3'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,6-di(propan-2-yl)-9,9'-spirobi[fluorene] is sourced from PubChem (CID 159493232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).