4,5-dimethyl-9H-fluorene;2,2'-dimethyl-9,9'-spirobi[fluorene];2',7'-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];3,6-dimethyl-9,9'-spirobi[fluorene];ethane

C159H202 — CID 161481336

IUPAC4,5-dimethyl-9H-fluorene;2,2'-dimethyl-9,9'-spirobi[fluorene];2',7'-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];3,6-dimethyl-9,9'-spirobi[fluorene];ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)-c1cc(C)ccc1C21c2ccccc2-c2ccccc21.Cc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(C)ccc21.Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(C)cc21.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)ccc1-2.Cc1cccc2c1-c1c(C)cccc1C2
InChIInChI=1S/4C27H20.C15H14.18C2H6/c1-17-11-13-25-21(15-17)19-7-3-5-9-23(19)27(25)24-10-6-4-8-20(24)22-16-18(2)12-14-26(22)27;1-17-11-13-21-19-7-3-5-9-23(19)27(25(21)15-17)24-10-6-4-8-20(24)22-14-12-18(2)16-26(22)27;1-17-11-13-25-21(15-17)22-16-18(2)12-14-26(22)27(25)23-9-5-3-7-19(23)20-8-4-6-10-24(20)27;1-17-11-13-21-22-14-12-18(2)16-26(22)27(25(21)15-17)23-9-5-3-7-19(23)20-8-4-6-10-24(20)27;1-10-5-3-7-12-9-13-8-4-6-11(2)15(13)14(10)12;18*1-2/h4*3-16H,1-2H3;3-8H,9H2,1-2H3;18*1-2H3
InChIKeyWEJUVVQTISYHSF-UHFFFAOYSA-N
MW2113.36 g/mol
LogP48.93
Rot. Bonds

About 4,5-dimethyl-9H-fluorene;2,2'-dimethyl-9,9'-spirobi[fluorene];2',7'-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];3,6-dimethyl-9,9'-spirobi[fluorene];ethane

4,5-dimethyl-9H-fluorene;2,2'-dimethyl-9,9'-spirobi[fluorene];2',7'-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];3,6-dimethyl-9,9'-spirobi[fluorene];ethane (PubChem CID 161481336) has the molecular formula C159H202 and a molecular weight of 2113.36 g/mol. Its IUPAC name is 4,5-dimethyl-9H-fluorene;2,2'-dimethyl-9,9'-spirobi[fluorene];2',7'-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];3,6-dimethyl-9,9'-spirobi[fluorene];ethane.

Molecular Properties

Compound Name4,5-dimethyl-9H-fluorene;2,2'-dimethyl-9,9'-spirobi[fluorene];2',7'-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];3,6-dimethyl-9,9'-spirobi[fluorene];ethane
PubChem CID161481336
Molecular FormulaC159H202
Molecular Weight2113.36 g/mol
Exact Mass2111.58
IUPAC Name4,5-dimethyl-9H-fluorene;2,2'-dimethyl-9,9'-spirobi[fluorene];2',7'-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];3,6-dimethyl-9,9'-spirobi[fluorene];ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)-c1cc(C)ccc1C21c2ccccc2-c2ccccc21.Cc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(C)ccc21.Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(C)cc21.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)ccc1-2.Cc1cccc2c1-c1c(C)cccc1C2
InChIInChI=1S/4C27H20.C15H14.18C2H6/c1-17-11-13-25-21(15-17)19-7-3-5-9-23(19)27(25)24-10-6-4-8-20(24)22-16-18(2)12-14-26(22)27;1-17-11-13-21-19-7-3-5-9-23(19)27(25(21)15-17)24-10-6-4-8-20(24)22-14-12-18(2)16-26(22)27;1-17-11-13-25-21(15-17)22-16-18(2)12-14-26(22)27(25)23-9-5-3-7-19(23)20-8-4-6-10-24(20)27;1-17-11-13-21-22-14-12-18(2)16-26(22)27(25(21)15-17)23-9-5-3-7-19(23)20-8-4-6-10-24(20)27;1-10-5-3-7-12-9-13-8-4-6-11(2)15(13)14(10)12;18*1-2/h4*3-16H,1-2H3;3-8H,9H2,1-2H3;18*1-2H3
InChIKeyWEJUVVQTISYHSF-UHFFFAOYSA-N
XLogP48.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms159
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002113.36
LogP ≤ 548.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4,5-dimethyl-9H-fluorene;2,2'-dimethyl-9,9'-spirobi[fluorene];2',7'-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];3,6-dimethyl-9,9'-spirobi[fluorene];ethane with MolForge

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Related Compounds

1',8'-dimethylspiro[9H-anthracene-10,9'-fluorene];2',7'-dimethylspiro[9H-anthracene-10,9'-fluorene];3',6'-dimethylspiro[9H-anthracene-10,9'-fluorene];4',5'-dimethylspiro[9H-anthracene-10,9'-fluorene];4,5-dimethylspiro[9H-anthracene-10,9'-fluorene];ethane
CID 160522820
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
3,4'-dimethyl-9,9'-spirobi[fluorene]
CID 145204038
2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
9',17'-dimethylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 160896143
2,7-dimethyl-9,9-diphenylfluorene;3,6-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene]
CID 157309373
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene)
CID 160627919
3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 121368255
CID 58607554
CID 58607554
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
3'-methylspiro[9H-anthracene-10,11'-benzo[b]fluorene]
CID 142293757
2,12,12-trimethyl-7H-indeno[1,2-a]fluorene
CID 142054010

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-9H-fluorene;2,2'-dimethyl-9,9'-spirobi[fluorene];2',7'-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];3,6-dimethyl-9,9'-spirobi[fluorene];ethane?
The IUPAC name of 4,5-dimethyl-9H-fluorene;2,2'-dimethyl-9,9'-spirobi[fluorene];2',7'-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];3,6-dimethyl-9,9'-spirobi[fluorene];ethane (CID 161481336) is 4,5-dimethyl-9H-fluorene;2,2'-dimethyl-9,9'-spirobi[fluorene];2',7'-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];3,6-dimethyl-9,9'-spirobi[fluorene];ethane.
What is the SMILES notation for 4,5-dimethyl-9H-fluorene;2,2'-dimethyl-9,9'-spirobi[fluorene];2',7'-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];3,6-dimethyl-9,9'-spirobi[fluorene];ethane?
The canonical SMILES for 4,5-dimethyl-9H-fluorene;2,2'-dimethyl-9,9'-spirobi[fluorene];2',7'-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];3,6-dimethyl-9,9'-spirobi[fluorene];ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)-c1cc(C)ccc1C21c2ccccc2-c2ccccc21.Cc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(C)ccc21.Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(C)cc21.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)ccc1-2.Cc1cccc2c1-c1c(C)cccc1C2.
What is the InChIKey of 4,5-dimethyl-9H-fluorene;2,2'-dimethyl-9,9'-spirobi[fluorene];2',7'-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];3,6-dimethyl-9,9'-spirobi[fluorene];ethane?
The InChIKey is WEJUVVQTISYHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C27H20.C15H14.18C2H6/c1-17-11-13-25-21(15-17)19-7-3-5-9-23(19)27(25)24-10-6-4-8-20(24)22-16-18(2)12-14-26(22)27;1-17-11-13-21-19-7-3-5-9-23(19)27(25(21)15-17)24-10-6-4-8-20(24)22-14-12-18(2)16-26(22)27;1-17-11-13-25-21(15-17)22-16-18(2)12-14-26(22)27(25)23-9-5-3-7-19(23)20-8-4-6-10-24(20)27;1-17-11-13-21-22-14-12-18(2)16-26(22)27(25(21)15-17)23-9-5-3-7-19(23)20-8-4-6-10-24(20)27;1-10-5-3-7-12-9-13-8-4-6-11(2)15(13)14(10)12;18*1-2/h4*3-16H,1-2H3;3-8H,9H2,1-2H3;18*1-2H3.
What are the key properties of 4,5-dimethyl-9H-fluorene;2,2'-dimethyl-9,9'-spirobi[fluorene];2',7'-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];3,6-dimethyl-9,9'-spirobi[fluorene];ethane?
4,5-dimethyl-9H-fluorene;2,2'-dimethyl-9,9'-spirobi[fluorene];2',7'-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];3,6-dimethyl-9,9'-spirobi[fluorene];ethane has a molecular weight of 2113.36 g/mol, XLogP of 48.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-9H-fluorene;2,2'-dimethyl-9,9'-spirobi[fluorene];2',7'-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];3,6-dimethyl-9,9'-spirobi[fluorene];ethane is sourced from PubChem (CID 161481336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).