1'-ethylspiro[benzo[b]fluorene-11,9'-fluorene]

C31H22 — CID 157350027

IUPAC1'-ethylspiro[benzo[b]fluorene-11,9'-fluorene]
SMILESCCc1cccc2c1C1(c3ccccc3-c3cc4ccccc4cc31)c1ccccc1-2
InChIInChI=1S/C31H22/c1-2-20-12-9-15-25-23-13-5-7-16-27(23)31(30(20)25)28-17-8-6-14-24(28)26-18-21-10-3-4-11-22(21)19-29(26)31/h3-19H,2H2,1H3
InChIKeyGJLLZFVTJMXGRV-UHFFFAOYSA-N
MW394.52 g/mol
LogP7.75
Rot. Bonds1

About 1'-ethylspiro[benzo[b]fluorene-11,9'-fluorene]

1'-ethylspiro[benzo[b]fluorene-11,9'-fluorene] (PubChem CID 157350027) has the molecular formula C31H22 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1'-ethylspiro[benzo[b]fluorene-11,9'-fluorene].

Molecular Properties

Compound Name1'-ethylspiro[benzo[b]fluorene-11,9'-fluorene]
PubChem CID157350027
Molecular FormulaC31H22
Molecular Weight394.52 g/mol
Exact Mass394.17
IUPAC Name1'-ethylspiro[benzo[b]fluorene-11,9'-fluorene]
SMILESCCc1cccc2c1C1(c3ccccc3-c3cc4ccccc4cc31)c1ccccc1-2
InChIInChI=1S/C31H22/c1-2-20-12-9-15-25-23-13-5-7-16-27(23)31(30(20)25)28-17-8-6-14-24(28)26-18-21-10-3-4-11-22(21)19-29(26)31/h3-19H,2H2,1H3
InChIKeyGJLLZFVTJMXGRV-UHFFFAOYSA-N
XLogP7.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185
CID 140845137
CID 140845137
7'-(4-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 145353249
aniline;propane;4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylaniline
CID 145353363
N-(3-methylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-amine
CID 140962192
1'-[2-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170023741
N-(4-tert-butylphenyl)-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-amine
CID 137494996
N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine
CID 134215993
N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193979
N-(9,9-dimethylfluoren-1-yl)-6-ethyl-N-naphthalen-2-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168812101
6-[11-(6-hydroxynaphthalen-2-yl)benzo[b]fluoren-11-yl]-4-propylnaphthalen-2-ol
CID 130222612
17'-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]
CID 140962446

Frequently Asked Questions

What is the IUPAC name of 1'-ethylspiro[benzo[b]fluorene-11,9'-fluorene]?
The IUPAC name of 1'-ethylspiro[benzo[b]fluorene-11,9'-fluorene] (CID 157350027) is 1'-ethylspiro[benzo[b]fluorene-11,9'-fluorene].
What is the SMILES notation for 1'-ethylspiro[benzo[b]fluorene-11,9'-fluorene]?
The canonical SMILES for 1'-ethylspiro[benzo[b]fluorene-11,9'-fluorene] is CCc1cccc2c1C1(c3ccccc3-c3cc4ccccc4cc31)c1ccccc1-2.
What is the InChIKey of 1'-ethylspiro[benzo[b]fluorene-11,9'-fluorene]?
The InChIKey is GJLLZFVTJMXGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22/c1-2-20-12-9-15-25-23-13-5-7-16-27(23)31(30(20)25)28-17-8-6-14-24(28)26-18-21-10-3-4-11-22(21)19-29(26)31/h3-19H,2H2,1H3.
What are the key properties of 1'-ethylspiro[benzo[b]fluorene-11,9'-fluorene]?
1'-ethylspiro[benzo[b]fluorene-11,9'-fluorene] has a molecular weight of 394.52 g/mol, XLogP of 7.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethylspiro[benzo[b]fluorene-11,9'-fluorene] is sourced from PubChem (CID 157350027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).