N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine

C55H37NOS — CID 167330802

IUPACN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4ccccc4-c4cccc5oc6c7ccccc7ccc6c45)cc3)c21
InChIInChI=1S/C55H37NOS/c1-55(2)47-21-8-5-15-40(47)45-20-11-18-38(53(45)55)35-25-28-36(29-26-35)56(37-30-32-43-42-17-7-10-24-50(42)58-51(43)33-37)48-22-9-6-16-41(48)44-19-12-23-49-52(44)46-31-27-34-13-3-4-14-39(34)54(46)57-49/h3-33H,1-2H3
InChIKeyXIMBVECKVXOTLE-UHFFFAOYSA-N
MW759.97 g/mol
LogP16.22
Rot. Bonds5

About N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine (PubChem CID 167330802) has the molecular formula C55H37NOS and a molecular weight of 759.97 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine
PubChem CID167330802
Molecular FormulaC55H37NOS
Molecular Weight759.97 g/mol
Exact Mass759.26
IUPAC NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4ccccc4-c4cccc5oc6c7ccccc7ccc6c45)cc3)c21
InChIInChI=1S/C55H37NOS/c1-55(2)47-21-8-5-15-40(47)45-20-11-18-38(53(45)55)35-25-28-36(29-26-35)56(37-30-32-43-42-17-7-10-24-50(42)58-51(43)33-37)48-22-9-6-16-41(48)44-19-12-23-49-52(44)46-31-27-34-13-3-4-14-39(34)54(46)57-49/h3-33H,1-2H3
InChIKeyXIMBVECKVXOTLE-UHFFFAOYSA-N
XLogP16.22
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.97
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine
CID 167330799
N-(9,9-dimethylfluoren-2-yl)-N-[2-[4-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-2-[4-[9-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphtho[1,2-b][1]benzofuran-7-ylanilino)phenyl]dibenzofuran-4-yl]naphtho[1,2-b][1]benzofuran-7-yl]anilino]phenyl]dibenzofuran-2-yl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]dibenzothiophen-3-amine
CID 166939747
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzothiophen-3-amine
CID 166939205
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
CID 166938756
N-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737995
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330344
9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-1-amine
CID 166938674
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166939643
2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 170143261
N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738900
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-amine
CID 176583109
2-dibenzothiophen-1-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326460

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine (CID 167330802) is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4ccccc4-c4cccc5oc6c7ccccc7ccc6c45)cc3)c21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine?
The InChIKey is XIMBVECKVXOTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NOS/c1-55(2)47-21-8-5-15-40(47)45-20-11-18-38(53(45)55)35-25-28-36(29-26-35)56(37-30-32-43-42-17-7-10-24-50(42)58-51(43)33-37)48-22-9-6-16-41(48)44-19-12-23-49-52(44)46-31-27-34-13-3-4-14-39(34)54(46)57-49/h3-33H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine?
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine has a molecular weight of 759.97 g/mol, XLogP of 16.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 167330802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).