3'-methylspiro[9H-anthracene-10,11'-benzo[b]fluorene]

C31H22 — CID 142293757

IUPAC3'-methylspiro[9H-anthracene-10,11'-benzo[b]fluorene]
SMILESCc1ccc2c(c1)-c1cc3ccccc3cc1C21c2ccccc2Cc2ccccc21
InChIInChI=1S/C31H22/c1-20-14-15-29-25(16-20)26-18-21-8-2-3-9-22(21)19-30(26)31(29)27-12-6-4-10-23(27)17-24-11-5-7-13-28(24)31/h2-16,18-19H,17H2,1H3
InChIKeyLGASEVSWLDSAFN-UHFFFAOYSA-N
MW394.52 g/mol
LogP7.42
Rot. Bonds

About 3'-methylspiro[9H-anthracene-10,11'-benzo[b]fluorene]

3'-methylspiro[9H-anthracene-10,11'-benzo[b]fluorene] (PubChem CID 142293757) has the molecular formula C31H22 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3'-methylspiro[9H-anthracene-10,11'-benzo[b]fluorene].

Molecular Properties

Compound Name3'-methylspiro[9H-anthracene-10,11'-benzo[b]fluorene]
PubChem CID142293757
Molecular FormulaC31H22
Molecular Weight394.52 g/mol
Exact Mass394.17
IUPAC Name3'-methylspiro[9H-anthracene-10,11'-benzo[b]fluorene]
SMILESCc1ccc2c(c1)-c1cc3ccccc3cc1C21c2ccccc2Cc2ccccc21
InChIInChI=1S/C31H22/c1-20-14-15-29-25(16-20)26-18-21-8-2-3-9-22(21)19-30(26)31(29)27-12-6-4-10-23(27)17-24-11-5-7-13-28(24)31/h2-16,18-19H,17H2,1H3
InChIKeyLGASEVSWLDSAFN-UHFFFAOYSA-N
XLogP7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185
4',10'-dimethylspiro[12H-benzo[a]anthracene-7,7'-benzo[c]fluorene];9,9'-dimethylspiro[12H-benzo[a]anthracene-7,7'-benzo[c]fluorene];10,10'-dimethylspiro[12H-benzo[a]anthracene-7,7'-benzo[c]fluorene];2',8'-dimethylspiro[5H-tetracene-12,11'-benzo[b]fluorene]
CID 157460289
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
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
ethane;spiro[9H-anthracene-10,9'-fluorene]
CID 90717340
3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 121368255
2,7-dimethyl-9,9-diphenylfluorene;3,6-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene]
CID 157309373
ethane;methane;10,10'-spirobi[9H-anthracene]
CID 157229277
CID 58607554
CID 58607554
3-methyl-9,9'-spirobi[fluorene]-3'-amine
CID 142477191
5'-bromo-13'-methylspiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]
CID 134258504

Frequently Asked Questions

What is the IUPAC name of 3'-methylspiro[9H-anthracene-10,11'-benzo[b]fluorene]?
The IUPAC name of 3'-methylspiro[9H-anthracene-10,11'-benzo[b]fluorene] (CID 142293757) is 3'-methylspiro[9H-anthracene-10,11'-benzo[b]fluorene].
What is the SMILES notation for 3'-methylspiro[9H-anthracene-10,11'-benzo[b]fluorene]?
The canonical SMILES for 3'-methylspiro[9H-anthracene-10,11'-benzo[b]fluorene] is Cc1ccc2c(c1)-c1cc3ccccc3cc1C21c2ccccc2Cc2ccccc21.
What is the InChIKey of 3'-methylspiro[9H-anthracene-10,11'-benzo[b]fluorene]?
The InChIKey is LGASEVSWLDSAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22/c1-20-14-15-29-25(16-20)26-18-21-8-2-3-9-22(21)19-30(26)31(29)27-12-6-4-10-23(27)17-24-11-5-7-13-28(24)31/h2-16,18-19H,17H2,1H3.
What are the key properties of 3'-methylspiro[9H-anthracene-10,11'-benzo[b]fluorene]?
3'-methylspiro[9H-anthracene-10,11'-benzo[b]fluorene] has a molecular weight of 394.52 g/mol, XLogP of 7.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methylspiro[9H-anthracene-10,11'-benzo[b]fluorene] is sourced from PubChem (CID 142293757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).