N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-N-(3-fluorophenyl)-8-methyldibenzothiophen-2-amine

C89H77FN4S — CID 23594454

IUPACN-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-N-(3-fluorophenyl)-8-methyldibenzothiophen-2-amine
SMILESCCCc1ccc(N(c2ccc(-c3ccc(N(c4ccc(CCC)cc4)c4ccc(-c5ccc(N(c6cccc(F)c6)c6ccc7sc8ccc(C)cc8c7c6)cc5)cc4)cc3)cc2)c2ccc(-c3ccc(N(c4ccc(C)c(C)c4)c4ccc(C)c(C)c4)cc3)cc2)cc1
InChIInChI=1S/C89H77FN4S/c1-8-11-65-18-36-74(37-19-65)91(78-44-26-69(27-45-78)71-30-48-80(49-31-71)93(82-14-10-13-73(90)58-82)85-52-54-89-87(59-85)86-55-60(3)15-53-88(86)95-89)76-40-22-67(23-41-76)68-24-42-77(43-25-68)92(75-38-20-66(12-9-2)21-39-75)79-46-28-70(29-47-79)72-32-50-81(51-33-72)94(83-34-16-61(4)63(6)56-83)84-35-17-62(5)64(7)57-84/h10,13-59H,8-9,11-12H2,1-7H3
InChIKeyNPRROFYGCBJYSE-UHFFFAOYSA-N
MW1253.69 g/mol
LogP26.52
Rot. Bonds19

About N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-N-(3-fluorophenyl)-8-methyldibenzothiophen-2-amine

N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-N-(3-fluorophenyl)-8-methyldibenzothiophen-2-amine (PubChem CID 23594454) has the molecular formula C89H77FN4S and a molecular weight of 1253.69 g/mol. Its IUPAC name is N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-N-(3-fluorophenyl)-8-methyldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-N-(3-fluorophenyl)-8-methyldibenzothiophen-2-amine
PubChem CID23594454
Molecular FormulaC89H77FN4S
Molecular Weight1253.69 g/mol
Exact Mass1252.59
IUPAC NameN-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-N-(3-fluorophenyl)-8-methyldibenzothiophen-2-amine
SMILESCCCc1ccc(N(c2ccc(-c3ccc(N(c4ccc(CCC)cc4)c4ccc(-c5ccc(N(c6cccc(F)c6)c6ccc7sc8ccc(C)cc8c7c6)cc5)cc4)cc3)cc2)c2ccc(-c3ccc(N(c4ccc(C)c(C)c4)c4ccc(C)c(C)c4)cc3)cc2)cc1
InChIInChI=1S/C89H77FN4S/c1-8-11-65-18-36-74(37-19-65)91(78-44-26-69(27-45-78)71-30-48-80(49-31-71)93(82-14-10-13-73(90)58-82)85-52-54-89-87(59-85)86-55-60(3)15-53-88(86)95-89)76-40-22-67(23-41-76)68-24-42-77(43-25-68)92(75-38-20-66(12-9-2)21-39-75)79-46-28-70(29-47-79)72-32-50-81(51-33-72)94(83-34-16-61(4)63(6)56-83)84-35-17-62(5)64(7)57-84/h10,13-59H,8-9,11-12H2,1-7H3
InChIKeyNPRROFYGCBJYSE-UHFFFAOYSA-N
XLogP26.52
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001253.69
LogP ≤ 526.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-N-(3-fluorophenyl)-8-methyldibenzothiophen-2-amine with MolForge

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Related Compounds

CID 68230511
CID 68230511
CID 145010373
CID 145010373
CID 23593181
CID 23593181
CID 23593200
CID 23593200
CID 23593212
CID 23593212
CID 23593214
CID 23593214
CID 23593216
CID 23593216
CID 23593218
CID 23593218
CID 23593220
CID 23593220
CID 23593254
CID 23593254
CID 23593256
CID 23593256
CID 23593265
CID 23593265

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-N-(3-fluorophenyl)-8-methyldibenzothiophen-2-amine?
The IUPAC name of N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-N-(3-fluorophenyl)-8-methyldibenzothiophen-2-amine (CID 23594454) is N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-N-(3-fluorophenyl)-8-methyldibenzothiophen-2-amine.
What is the SMILES notation for N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-N-(3-fluorophenyl)-8-methyldibenzothiophen-2-amine?
The canonical SMILES for N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-N-(3-fluorophenyl)-8-methyldibenzothiophen-2-amine is CCCc1ccc(N(c2ccc(-c3ccc(N(c4ccc(CCC)cc4)c4ccc(-c5ccc(N(c6cccc(F)c6)c6ccc7sc8ccc(C)cc8c7c6)cc5)cc4)cc3)cc2)c2ccc(-c3ccc(N(c4ccc(C)c(C)c4)c4ccc(C)c(C)c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-N-(3-fluorophenyl)-8-methyldibenzothiophen-2-amine?
The InChIKey is NPRROFYGCBJYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H77FN4S/c1-8-11-65-18-36-74(37-19-65)91(78-44-26-69(27-45-78)71-30-48-80(49-31-71)93(82-14-10-13-73(90)58-82)85-52-54-89-87(59-85)86-55-60(3)15-53-88(86)95-89)76-40-22-67(23-41-76)68-24-42-77(43-25-68)92(75-38-20-66(12-9-2)21-39-75)79-46-28-70(29-47-79)72-32-50-81(51-33-72)94(83-34-16-61(4)63(6)56-83)84-35-17-62(5)64(7)57-84/h10,13-59H,8-9,11-12H2,1-7H3.
What are the key properties of N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-N-(3-fluorophenyl)-8-methyldibenzothiophen-2-amine?
N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-N-(3-fluorophenyl)-8-methyldibenzothiophen-2-amine has a molecular weight of 1253.69 g/mol, XLogP of 26.52, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-4-propylanilino)phenyl]phenyl]-N-(3-fluorophenyl)-8-methyldibenzothiophen-2-amine is sourced from PubChem (CID 23594454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).