N,N-bis[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-1-benzofuran-6-amine

C60H43NO — CID 177098867

IUPACN,N-bis[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-1-benzofuran-6-amine
SMILESCc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccc(C)cc4)c4ccccc4-5)c4ccc5ccoc5c4)cc32)cc1
InChIInChI=1S/C60H43NO/c1-40-21-26-45(27-22-40)59(43-13-5-3-6-14-43)54-19-11-9-17-50(54)52-33-31-47(37-56(52)59)61(49-30-25-42-35-36-62-58(42)39-49)48-32-34-53-51-18-10-12-20-55(51)60(57(53)38-48,44-15-7-4-8-16-44)46-28-23-41(2)24-29-46/h3-39H,1-2H3
InChIKeyBYKVAJKSINSKLN-UHFFFAOYSA-N
MW794.01 g/mol
LogP15.25
Rot. Bonds7

About N,N-bis[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-1-benzofuran-6-amine

N,N-bis[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-1-benzofuran-6-amine (PubChem CID 177098867) has the molecular formula C60H43NO and a molecular weight of 794.01 g/mol. Its IUPAC name is N,N-bis[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-1-benzofuran-6-amine.

Molecular Properties

Compound NameN,N-bis[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-1-benzofuran-6-amine
PubChem CID177098867
Molecular FormulaC60H43NO
Molecular Weight794.01 g/mol
Exact Mass793.33
IUPAC NameN,N-bis[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-1-benzofuran-6-amine
SMILESCc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccc(C)cc4)c4ccccc4-5)c4ccc5ccoc5c4)cc32)cc1
InChIInChI=1S/C60H43NO/c1-40-21-26-45(27-22-40)59(43-13-5-3-6-14-43)54-19-11-9-17-50(54)52-33-31-47(37-56(52)59)61(49-30-25-42-35-36-62-58(42)39-49)48-32-34-53-51-18-10-12-20-55(51)60(57(53)38-48,44-15-7-4-8-16-44)46-28-23-41(2)24-29-46/h3-39H,1-2H3
InChIKeyBYKVAJKSINSKLN-UHFFFAOYSA-N
XLogP15.25
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.01
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-1-benzofuran-6-amine
CID 177098995
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
4-[9-(4-methylphenyl)-2-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-yl]phenol
CID 154985556
N-(1-benzofuran-5-yl)-N-(9,9-diphenylfluoren-2-yl)-6,6-diphenylindeno[2,1-g][1]benzofuran-8-amine
CID 177098935
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-propylphenyl)fluoren-2-amine
CID 177067313
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
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine
CID 90277842

Frequently Asked Questions

What is the IUPAC name of N,N-bis[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-1-benzofuran-6-amine?
The IUPAC name of N,N-bis[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-1-benzofuran-6-amine (CID 177098867) is N,N-bis[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-1-benzofuran-6-amine.
What is the SMILES notation for N,N-bis[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-1-benzofuran-6-amine?
The canonical SMILES for N,N-bis[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-1-benzofuran-6-amine is Cc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccc(C)cc4)c4ccccc4-5)c4ccc5ccoc5c4)cc32)cc1.
What is the InChIKey of N,N-bis[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-1-benzofuran-6-amine?
The InChIKey is BYKVAJKSINSKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43NO/c1-40-21-26-45(27-22-40)59(43-13-5-3-6-14-43)54-19-11-9-17-50(54)52-33-31-47(37-56(52)59)61(49-30-25-42-35-36-62-58(42)39-49)48-32-34-53-51-18-10-12-20-55(51)60(57(53)38-48,44-15-7-4-8-16-44)46-28-23-41(2)24-29-46/h3-39H,1-2H3.
What are the key properties of N,N-bis[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-1-benzofuran-6-amine?
N,N-bis[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-1-benzofuran-6-amine has a molecular weight of 794.01 g/mol, XLogP of 15.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-1-benzofuran-6-amine is sourced from PubChem (CID 177098867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).