N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-2-phenyl-1-benzofuran-5-amine

C64H43NO — CID 177099010

IUPACN-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-2-phenyl-1-benzofuran-5-amine
SMILESc1ccc(-c2cc3cc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc3o2)cc1
InChIInChI=1S/C64H43NO/c1-6-20-44(21-7-1)62-41-45-40-50(36-39-61(45)66-62)65(51-35-38-59-56(42-51)54-31-17-19-33-58(54)63(59,46-22-8-2-9-23-46)47-24-10-3-11-25-47)52-34-37-55-53-30-16-18-32-57(53)64(60(55)43-52,48-26-12-4-13-27-48)49-28-14-5-15-29-49/h1-43H
InChIKeyLJHDVUOQDSRXOR-UHFFFAOYSA-N
MW842.05 g/mol
LogP16.30
Rot. Bonds8

About N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-2-phenyl-1-benzofuran-5-amine

N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-2-phenyl-1-benzofuran-5-amine (PubChem CID 177099010) has the molecular formula C64H43NO and a molecular weight of 842.05 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-2-phenyl-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-2-phenyl-1-benzofuran-5-amine
PubChem CID177099010
Molecular FormulaC64H43NO
Molecular Weight842.05 g/mol
Exact Mass841.33
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-2-phenyl-1-benzofuran-5-amine
SMILESc1ccc(-c2cc3cc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc3o2)cc1
InChIInChI=1S/C64H43NO/c1-6-20-44(21-7-1)62-41-45-40-50(36-39-61(45)66-62)65(51-35-38-59-56(42-51)54-31-17-19-33-58(54)63(59,46-22-8-2-9-23-46)47-24-10-3-11-25-47)52-34-37-55-53-30-16-18-32-57(53)64(60(55)43-52,48-26-12-4-13-27-48)49-28-14-5-15-29-49/h1-43H
InChIKeyLJHDVUOQDSRXOR-UHFFFAOYSA-N
XLogP16.30
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.05
LogP ≤ 516.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-3-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 121423646
N,N-bis(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 121423738
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 121423591
N-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 121423669
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423673
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 161038033
9,9-diphenyl-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-3-amine
CID 121464369
N,N-bis(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731448

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-2-phenyl-1-benzofuran-5-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-2-phenyl-1-benzofuran-5-amine (CID 177099010) is N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-2-phenyl-1-benzofuran-5-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-2-phenyl-1-benzofuran-5-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-2-phenyl-1-benzofuran-5-amine is c1ccc(-c2cc3cc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc3o2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-2-phenyl-1-benzofuran-5-amine?
The InChIKey is LJHDVUOQDSRXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43NO/c1-6-20-44(21-7-1)62-41-45-40-50(36-39-61(45)66-62)65(51-35-38-59-56(42-51)54-31-17-19-33-58(54)63(59,46-22-8-2-9-23-46)47-24-10-3-11-25-47)52-34-37-55-53-30-16-18-32-57(53)64(60(55)43-52,48-26-12-4-13-27-48)49-28-14-5-15-29-49/h1-43H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-2-phenyl-1-benzofuran-5-amine?
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-2-phenyl-1-benzofuran-5-amine has a molecular weight of 842.05 g/mol, XLogP of 16.30, 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-(9,9-diphenylfluoren-3-yl)-2-phenyl-1-benzofuran-5-amine is sourced from PubChem (CID 177099010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).