N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine

C60H41NO2 — CID 146365340

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4c3oc3ccccc43)cc21
InChIInChI=1S/C60H41NO2/c1-59(2)50-24-12-9-21-45(50)47-31-29-43(37-54(47)59)61(44-34-40(38-17-5-3-6-18-38)33-41(35-44)39-19-7-4-8-20-39)42-30-32-52-49(36-42)46-22-10-13-25-51(46)60(52)53-26-14-16-28-56(53)62-57-48-23-11-15-27-55(48)63-58(57)60/h3-37H,1-2H3
InChIKeyKJRTUTKUWKDZJW-UHFFFAOYSA-N
MW807.99 g/mol
LogP16.01
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine

N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine (PubChem CID 146365340) has the molecular formula C60H41NO2 and a molecular weight of 807.99 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine
PubChem CID146365340
Molecular FormulaC60H41NO2
Molecular Weight807.99 g/mol
Exact Mass807.31
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4c3oc3ccccc43)cc21
InChIInChI=1S/C60H41NO2/c1-59(2)50-24-12-9-21-45(50)47-31-29-43(37-54(47)59)61(44-34-40(38-17-5-3-6-18-38)33-41(35-44)39-19-7-4-8-20-39)42-30-32-52-49(36-42)46-22-10-13-25-51(46)60(52)53-26-14-16-28-56(53)62-57-48-23-11-15-27-55(48)63-58(57)60/h3-37H,1-2H3
InChIKeyKJRTUTKUWKDZJW-UHFFFAOYSA-N
XLogP16.01
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.99
LogP ≤ 516.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine
CID 146365355
N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine
CID 146365284
N-(3,4-diphenylphenyl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine
CID 146365291
N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine
CID 146365105
3-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-dimethylfluoren-3-yl)-7-N-naphthalen-1-yl-7-N-phenylspiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine
CID 146365298
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphtho[2,1-b][1]benzofuran-5-yl-5-phenylphenyl)fluoren-2-amine
CID 139551229
N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
CID 146365250
7-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-naphthalen-1-yl-7-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine;7-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-7-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine;3-N-dibenzofuran-3-yl-3-N-naphthalen-1-yl-7-N,7-N-bis(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine;3-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-dimethylfluoren-3-yl)-7-N-naphthalen-1-yl-7-N-phenylspiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine
CID 157473039
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-8-amine
CID 146365117
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-22-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-5-amine
CID 171757658
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
CID 146365158
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 70808823

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine (CID 146365340) is N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine is CC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4c3oc3ccccc43)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine?
The InChIKey is KJRTUTKUWKDZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41NO2/c1-59(2)50-24-12-9-21-45(50)47-31-29-43(37-54(47)59)61(44-34-40(38-17-5-3-6-18-38)33-41(35-44)39-19-7-4-8-20-39)42-30-32-52-49(36-42)46-22-10-13-25-51(46)60(52)53-26-14-16-28-56(53)62-57-48-23-11-15-27-55(48)63-58(57)60/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine has a molecular weight of 807.99 g/mol, XLogP of 16.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine is sourced from PubChem (CID 146365340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).