N-(9,9-diphenylfluoren-2-yl)-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine

C65H43NO — CID 170675305

IUPACN-(9,9-diphenylfluoren-2-yl)-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4oc5c6ccccc6ccc5c4c3)cc2)cc1
InChIInChI=1S/C65H43NO/c1-5-17-44(18-6-1)46-29-31-48(32-30-46)50-41-59-58-39-35-49-21-13-14-26-55(49)63(58)67-64(59)62(42-50)66(53-36-33-47(34-37-53)45-19-7-2-8-20-45)54-38-40-57-56-27-15-16-28-60(56)65(61(57)43-54,51-22-9-3-10-23-51)52-24-11-4-12-25-52/h1-43H
InChIKeyNEXGPPQYRBAVQV-UHFFFAOYSA-N
MW854.07 g/mol
LogP17.57
Rot. Bonds8

About N-(9,9-diphenylfluoren-2-yl)-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine

N-(9,9-diphenylfluoren-2-yl)-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 170675305) has the molecular formula C65H43NO and a molecular weight of 854.07 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
PubChem CID170675305
Molecular FormulaC65H43NO
Molecular Weight854.07 g/mol
Exact Mass853.33
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4oc5c6ccccc6ccc5c4c3)cc2)cc1
InChIInChI=1S/C65H43NO/c1-5-17-44(18-6-1)46-29-31-48(32-30-46)50-41-59-58-39-35-49-21-13-14-26-55(49)63(58)67-64(59)62(42-50)66(53-36-33-47(34-37-53)45-19-7-2-8-20-45)54-38-40-57-56-27-15-16-28-60(56)65(61(57)43-54,51-22-9-3-10-23-51)52-24-11-4-12-25-52/h1-43H
InChIKeyNEXGPPQYRBAVQV-UHFFFAOYSA-N
XLogP17.57
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.07
LogP ≤ 517.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,8-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675516
N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121378
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 177121964
10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675127
N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 170675439
N-(9,9-diphenylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 169021988
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine
CID 135271681
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 170239526
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122286
N-(9,9-diphenylfluoren-2-yl)-7,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 171752062
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177122285
N-(9,9-diphenylfluoren-2-yl)-N,8-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 167143415

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine (CID 170675305) is N-(9,9-diphenylfluoren-2-yl)-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine is c1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4oc5c6ccccc6ccc5c4c3)cc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is NEXGPPQYRBAVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43NO/c1-5-17-44(18-6-1)46-29-31-48(32-30-46)50-41-59-58-39-35-49-21-13-14-26-55(49)63(58)67-64(59)62(42-50)66(53-36-33-47(34-37-53)45-19-7-2-8-20-45)54-38-40-57-56-27-15-16-28-60(56)65(61(57)43-54,51-22-9-3-10-23-51)52-24-11-4-12-25-52/h1-43H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
N-(9,9-diphenylfluoren-2-yl)-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine has a molecular weight of 854.07 g/mol, XLogP of 17.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 170675305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).