N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine

C66H43NO — CID 170675307

IUPACN-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3c(-c4ccc5ccccc5c4)ccc4c3oc3ccc5ccccc5c34)cc21
InChIInChI=1S/C66H43NO/c1-65(2)55-23-11-7-19-48(55)52-32-30-44(38-59(52)65)67(45-31-33-53-51-22-10-14-26-58(51)66(60(53)39-45)56-24-12-8-20-49(56)50-21-9-13-25-57(50)66)63-47(43-28-27-40-15-3-4-17-42(40)37-43)34-35-54-62-46-18-6-5-16-41(46)29-36-61(62)68-64(54)63/h3-39H,1-2H3
InChIKeyZITPREMEJOSSMO-UHFFFAOYSA-N
MW866.08 g/mol
LogP17.68
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine

N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 170675307) has the molecular formula C66H43NO and a molecular weight of 866.08 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
PubChem CID170675307
Molecular FormulaC66H43NO
Molecular Weight866.08 g/mol
Exact Mass865.33
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3c(-c4ccc5ccccc5c4)ccc4c3oc3ccc5ccccc5c34)cc21
InChIInChI=1S/C66H43NO/c1-65(2)55-23-11-7-19-48(55)52-32-30-44(38-59(52)65)67(45-31-33-53-51-22-10-14-26-58(51)66(60(53)39-45)56-24-12-8-20-49(56)50-21-9-13-25-57(50)66)63-47(43-28-27-40-15-3-4-17-42(40)37-43)34-35-54-62-46-18-6-5-16-41(46)29-36-61(62)68-64(54)63/h3-39H,1-2H3
InChIKeyZITPREMEJOSSMO-UHFFFAOYSA-N
XLogP17.68
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.08
LogP ≤ 517.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-6-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
CID 170535984
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 166028626
N-(9,9-dimethylfluoren-2-yl)-7-(3-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170675579
N-(9,9-dimethylfluoren-2-yl)-2-naphtho[1,2-b][1]benzofuran-9-yl-N-(4-phenylphenyl)triphenylen-1-amine
CID 177294664
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-phenylphenyl]fluoren-2-amine
CID 139551318
N-(9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170674936
N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 167176670
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)fluoren-3-amine
CID 170035949
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 166028544
N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 170535955
N,N-bis(9,9-dimethylfluoren-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-amine
CID 135229787
N-(9,9-dimethylfluoren-2-yl)-N-[3-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 166028540

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine (CID 170675307) is N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3c(-c4ccc5ccccc5c4)ccc4c3oc3ccc5ccccc5c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is ZITPREMEJOSSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43NO/c1-65(2)55-23-11-7-19-48(55)52-32-30-44(38-59(52)65)67(45-31-33-53-51-22-10-14-26-58(51)66(60(53)39-45)56-24-12-8-20-49(56)50-21-9-13-25-57(50)66)63-47(43-28-27-40-15-3-4-17-42(40)37-43)34-35-54-62-46-18-6-5-16-41(46)29-36-61(62)68-64(54)63/h3-39H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine?
N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine has a molecular weight of 866.08 g/mol, XLogP of 17.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 170675307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).