N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine

C61H47NO — CID 169295606

IUPACN,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4cc4c3oc3cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)cc21
InChIInChI=1S/C61H47NO/c1-59(2)50-20-12-9-17-42(50)45-27-23-37(32-53(45)59)57-41-16-8-7-15-36(41)31-49-48-30-26-40(35-56(48)63-58(49)57)62(38-24-28-46-43-18-10-13-21-51(43)60(3,4)54(46)33-38)39-25-29-47-44-19-11-14-22-52(44)61(5,6)55(47)34-39/h7-35H,1-6H3
InChIKeyZIDJXTMJAHAHMK-UHFFFAOYSA-N
MW810.05 g/mol
LogP16.79
Rot. Bonds4

About N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine

N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine (PubChem CID 169295606) has the molecular formula C61H47NO and a molecular weight of 810.05 g/mol. Its IUPAC name is N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
PubChem CID169295606
Molecular FormulaC61H47NO
Molecular Weight810.05 g/mol
Exact Mass809.37
IUPAC NameN,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4cc4c3oc3cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)cc21
InChIInChI=1S/C61H47NO/c1-59(2)50-20-12-9-17-42(50)45-27-23-37(32-53(45)59)57-41-16-8-7-15-36(41)31-49-48-30-26-40(35-56(48)63-58(49)57)62(38-24-28-46-43-18-10-13-21-51(43)60(3,4)54(46)33-38)39-25-29-47-44-19-11-14-22-52(44)61(5,6)55(47)34-39/h7-35H,1-6H3
InChIKeyZIDJXTMJAHAHMK-UHFFFAOYSA-N
XLogP16.79
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.05
LogP ≤ 516.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296272
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296266
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295312
N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296132
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295552
N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295604
6-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295605
6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 169295994
N-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295457
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine
CID 169296337
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296063
6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 169295304

Frequently Asked Questions

What is the IUPAC name of N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine?
The IUPAC name of N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine (CID 169295606) is N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine.
What is the SMILES notation for N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine?
The canonical SMILES for N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4cc4c3oc3cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)cc21.
What is the InChIKey of N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine?
The InChIKey is ZIDJXTMJAHAHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H47NO/c1-59(2)50-20-12-9-17-42(50)45-27-23-37(32-53(45)59)57-41-16-8-7-15-36(41)31-49-48-30-26-40(35-56(48)63-58(49)57)62(38-24-28-46-43-18-10-13-21-51(43)60(3,4)54(46)33-38)39-25-29-47-44-19-11-14-22-52(44)61(5,6)55(47)34-39/h7-35H,1-6H3.
What are the key properties of N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine?
N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine has a molecular weight of 810.05 g/mol, XLogP of 16.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine is sourced from PubChem (CID 169295606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).