(8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yldibenzofuran-1-yl)methanamine

C38H27NO — CID 176917178

IUPAC(8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yldibenzofuran-1-yl)methanamine
SMILESNCc1cccc2oc3ccc(-c4cccc5c4-c4ccccc4C54C5=C(C=CCC5)c5ccccc54)cc3c12
InChIInChI=1S/C38H27NO/c39-22-24-9-7-18-35-36(24)29-21-23(19-20-34(29)40-35)25-13-8-17-33-37(25)28-12-3-6-16-32(28)38(33)30-14-4-1-10-26(30)27-11-2-5-15-31(27)38/h1-4,6-14,16-21H,5,15,22,39H2
InChIKeySNNPZNITSYBNAS-UHFFFAOYSA-N
MW513.64 g/mol
LogP9.14
Rot. Bonds2

About (8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yldibenzofuran-1-yl)methanamine

(8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yldibenzofuran-1-yl)methanamine (PubChem CID 176917178) has the molecular formula C38H27NO and a molecular weight of 513.64 g/mol. Its IUPAC name is (8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yldibenzofuran-1-yl)methanamine.

Molecular Properties

Compound Name(8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yldibenzofuran-1-yl)methanamine
PubChem CID176917178
Molecular FormulaC38H27NO
Molecular Weight513.64 g/mol
Exact Mass513.21
IUPAC Name(8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yldibenzofuran-1-yl)methanamine
SMILESNCc1cccc2oc3ccc(-c4cccc5c4-c4ccccc4C54C5=C(C=CCC5)c5ccccc54)cc3c12
InChIInChI=1S/C38H27NO/c39-22-24-9-7-18-35-36(24)29-21-23(19-20-34(29)40-35)25-13-8-17-33-37(25)28-12-3-6-16-32(28)38(33)30-14-4-1-10-26(30)27-11-2-5-15-31(27)38/h1-4,6-14,16-21H,5,15,22,39H2
InChIKeySNNPZNITSYBNAS-UHFFFAOYSA-N
XLogP9.14
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 59.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran
CID 129100189
2-dibenzofuran-1-yl-4-phenyl-6-(8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yldibenzofuran-1-yl)-1,3,5-triazine
CID 174284587
N-(4-dibenzofuran-2-ylphenyl)-N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-7,8-dihydrofluoren-2-amine
CID 126548375
1-prop-1-en-2-yl-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran
CID 156734864
2,4-diphenyl-6-[8-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734786
[8-(5-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-yl]methanamine
CID 145447503
2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002837
2-naphtho[2,3-b][1]benzofuran-2-yl-5-(10-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-9-yl)pyridine
CID 134531269
N-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[9,10-dihydroindeno[1,2-a]oxanthrene-8,9'-fluorene]-4-amine
CID 138582677
4-(4-dibenzofuran-2-yl-9-phenylfluoren-9-yl)pyridine
CID 135173145
2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153368921
2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166002825

Frequently Asked Questions

What is the IUPAC name of (8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yldibenzofuran-1-yl)methanamine?
The IUPAC name of (8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yldibenzofuran-1-yl)methanamine (CID 176917178) is (8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yldibenzofuran-1-yl)methanamine.
What is the SMILES notation for (8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yldibenzofuran-1-yl)methanamine?
The canonical SMILES for (8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yldibenzofuran-1-yl)methanamine is NCc1cccc2oc3ccc(-c4cccc5c4-c4ccccc4C54C5=C(C=CCC5)c5ccccc54)cc3c12.
What is the InChIKey of (8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yldibenzofuran-1-yl)methanamine?
The InChIKey is SNNPZNITSYBNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27NO/c39-22-24-9-7-18-35-36(24)29-21-23(19-20-34(29)40-35)25-13-8-17-33-37(25)28-12-3-6-16-32(28)38(33)30-14-4-1-10-26(30)27-11-2-5-15-31(27)38/h1-4,6-14,16-21H,5,15,22,39H2.
What are the key properties of (8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yldibenzofuran-1-yl)methanamine?
(8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yldibenzofuran-1-yl)methanamine has a molecular weight of 513.64 g/mol, XLogP of 9.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yldibenzofuran-1-yl)methanamine is sourced from PubChem (CID 176917178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).