N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine

C60H41NO2 — CID 146365355

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4c3oc3ccccc43)cc21
InChIInChI=1S/C60H41NO2/c1-59(2)50-19-9-6-16-45(50)47-34-32-44(37-54(47)59)61(42-30-28-41(29-31-42)40-26-24-39(25-27-40)38-14-4-3-5-15-38)43-33-35-52-49(36-43)46-17-7-10-20-51(46)60(52)53-21-11-13-23-56(53)62-57-48-18-8-12-22-55(48)63-58(57)60/h3-37H,1-2H3
InChIKeyZTIUXHLANDSGLX-UHFFFAOYSA-N
MW807.99 g/mol
LogP16.01
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine (PubChem CID 146365355) 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-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine
PubChem CID146365355
Molecular FormulaC60H41NO2
Molecular Weight807.99 g/mol
Exact Mass807.31
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4c3oc3ccccc43)cc21
InChIInChI=1S/C60H41NO2/c1-59(2)50-19-9-6-16-45(50)47-34-32-44(37-54(47)59)61(42-30-28-41(29-31-42)40-26-24-39(25-27-40)38-14-4-3-5-15-38)43-33-35-52-49(36-43)46-17-7-10-20-51(46)60(52)53-21-11-13-23-56(53)62-57-48-18-8-12-22-55(48)63-58(57)60/h3-37H,1-2H3
InChIKeyZTIUXHLANDSGLX-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-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine
CID 146365340
N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine
CID 146365284
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-(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-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
CID 146365158
2-N'-naphthalen-2-yl-7-N',7-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-2',7'-diamine
CID 146365095
9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)fluoren-2-amine
CID 134551319
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine
CID 122504141
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 67964223
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964274

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine?
The IUPAC name of 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) is N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]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-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4c3oc3ccccc43)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine?
The InChIKey is ZTIUXHLANDSGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41NO2/c1-59(2)50-19-9-6-16-45(50)47-34-32-44(37-54(47)59)61(42-30-28-41(29-31-42)40-26-24-39(25-27-40)38-14-4-3-5-15-38)43-33-35-52-49(36-43)46-17-7-10-20-51(46)60(52)53-21-11-13-23-56(53)62-57-48-18-8-12-22-55(48)63-58(57)60/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]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-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine is sourced from PubChem (CID 146365355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).