N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine

C55H37NOS — CID 167330799

IUPACN-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccccc3-c3cccc4oc5c6ccccc6ccc5c34)c21
InChIInChI=1S/C55H37NOS/c1-55(2)46-23-8-5-16-39(46)43-21-12-25-48(52(43)55)56(36-31-28-35(29-32-36)38-19-11-22-44-41-18-7-10-27-50(41)58-54(38)44)47-24-9-6-17-40(47)42-20-13-26-49-51(42)45-33-30-34-14-3-4-15-37(34)53(45)57-49/h3-33H,1-2H3
InChIKeyMWDYBUNSPFABGK-UHFFFAOYSA-N
MW759.97 g/mol
LogP16.22
Rot. Bonds5

About N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine

N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine (PubChem CID 167330799) has the molecular formula C55H37NOS and a molecular weight of 759.97 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine
PubChem CID167330799
Molecular FormulaC55H37NOS
Molecular Weight759.97 g/mol
Exact Mass759.26
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccccc3-c3cccc4oc5c6ccccc6ccc5c34)c21
InChIInChI=1S/C55H37NOS/c1-55(2)46-23-8-5-16-39(46)43-21-12-25-48(52(43)55)56(36-31-28-35(29-32-36)38-19-11-22-44-41-18-7-10-27-50(41)58-54(38)44)47-24-9-6-17-40(47)42-20-13-26-49-51(42)45-33-30-34-14-3-4-15-37(34)53(45)57-49/h3-33H,1-2H3
InChIKeyMWDYBUNSPFABGK-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)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
CID 166939738
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-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine
CID 167330802
N-(4-dibenzothiophen-4-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167329482
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166939643
N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737320
N-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-4-amine
CID 166938750
N-(4-dibenzothiophen-4-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 166939749
N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 171738749
9,9-dimethyl-N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine
CID 166938669
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737260
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 118193740

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine (CID 167330799) is N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine is CC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccccc3-c3cccc4oc5c6ccccc6ccc5c34)c21.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine?
The InChIKey is MWDYBUNSPFABGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NOS/c1-55(2)46-23-8-5-16-39(46)43-21-12-25-48(52(43)55)56(36-31-28-35(29-32-36)38-19-11-22-44-41-18-7-10-27-50(41)58-54(38)44)47-24-9-6-17-40(47)42-20-13-26-49-51(42)45-33-30-34-14-3-4-15-37(34)53(45)57-49/h3-33H,1-2H3.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine?
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-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-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine is sourced from PubChem (CID 167330799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).