N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-1-benzofuran-6-amine

C64H43NO — CID 177098995

IUPACN-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-1-benzofuran-6-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc6ccoc6c5)c4)cc32)cc1
InChIInChI=1S/C64H43NO/c1-5-19-47(20-6-1)63(48-21-7-2-8-22-48)58-30-15-13-28-54(58)56-36-33-46(41-60(56)63)45-18-17-27-51(40-45)65(53-34-32-44-38-39-66-62(44)43-53)52-35-37-57-55-29-14-16-31-59(55)64(61(57)42-52,49-23-9-3-10-24-49)50-25-11-4-12-26-50/h1-43H
InChIKeyPROJJINFLXKLLD-UHFFFAOYSA-N
MW842.05 g/mol
LogP16.30
Rot. Bonds8

About N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-1-benzofuran-6-amine

N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-1-benzofuran-6-amine (PubChem CID 177098995) 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-[3-(9,9-diphenylfluoren-2-yl)phenyl]-1-benzofuran-6-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-1-benzofuran-6-amine
PubChem CID177098995
Molecular FormulaC64H43NO
Molecular Weight842.05 g/mol
Exact Mass841.33
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-1-benzofuran-6-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc6ccoc6c5)c4)cc32)cc1
InChIInChI=1S/C64H43NO/c1-5-19-47(20-6-1)63(48-21-7-2-8-22-48)58-30-15-13-28-54(58)56-36-33-46(41-60(56)63)45-18-17-27-51(40-45)65(53-34-32-44-38-39-66-62(44)43-53)52-35-37-57-55-29-14-16-31-59(55)64(61(57)42-52,49-23-9-3-10-24-49)50-25-11-4-12-26-50/h1-43H
InChIKeyPROJJINFLXKLLD-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

Analyze N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-1-benzofuran-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-1-benzofuran-6-amine
CID 177098867
N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 166565630
N,N-bis[3-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 154972916
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine
CID 168731450
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 121423591
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 159624987
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566284
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166566308
N-[4-(7,7-diphenylbenzo[a]phenalen-9-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 118532996
7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine
CID 101429725
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 58988737

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-1-benzofuran-6-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-1-benzofuran-6-amine (CID 177098995) is N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-1-benzofuran-6-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-1-benzofuran-6-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-1-benzofuran-6-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc6ccoc6c5)c4)cc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-1-benzofuran-6-amine?
The InChIKey is PROJJINFLXKLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43NO/c1-5-19-47(20-6-1)63(48-21-7-2-8-22-48)58-30-15-13-28-54(58)56-36-33-46(41-60(56)63)45-18-17-27-51(40-45)65(53-34-32-44-38-39-66-62(44)43-53)52-35-37-57-55-29-14-16-31-59(55)64(61(57)42-52,49-23-9-3-10-24-49)50-25-11-4-12-26-50/h1-43H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-1-benzofuran-6-amine?
N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-1-benzofuran-6-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-[3-(9,9-diphenylfluoren-2-yl)phenyl]-1-benzofuran-6-amine is sourced from PubChem (CID 177098995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).