N-[6-(1-benzothiophen-7-yl)-9,9-diphenylfluoren-3-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine

C66H43NS2 — CID 177099018

IUPACN-[6-(1-benzothiophen-7-yl)-9,9-diphenylfluoren-3-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5c(c4)-c4cc(-c6cccc7ccsc67)ccc4C5(c4ccccc4)c4ccccc4)c4cccc5ccsc45)ccc32)cc1
InChIInChI=1S/C66H43NS2/c1-5-19-47(20-6-1)65(48-21-7-2-8-22-48)58-29-14-13-27-54(58)56-42-51(32-35-60(56)65)67(62-30-16-18-45-38-40-69-64(45)62)52-33-36-61-57(43-52)55-41-46(53-28-15-17-44-37-39-68-63(44)53)31-34-59(55)66(61,49-23-9-3-10-24-49)50-25-11-4-12-26-50/h1-43H
InChIKeyCHCCCCYZICCCIQ-UHFFFAOYSA-N
MW914.21 g/mol
LogP17.98
Rot. Bonds8

About N-[6-(1-benzothiophen-7-yl)-9,9-diphenylfluoren-3-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine

N-[6-(1-benzothiophen-7-yl)-9,9-diphenylfluoren-3-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine (PubChem CID 177099018) has the molecular formula C66H43NS2 and a molecular weight of 914.21 g/mol. Its IUPAC name is N-[6-(1-benzothiophen-7-yl)-9,9-diphenylfluoren-3-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine.

Molecular Properties

Compound NameN-[6-(1-benzothiophen-7-yl)-9,9-diphenylfluoren-3-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine
PubChem CID177099018
Molecular FormulaC66H43NS2
Molecular Weight914.21 g/mol
Exact Mass913.28
IUPAC NameN-[6-(1-benzothiophen-7-yl)-9,9-diphenylfluoren-3-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5c(c4)-c4cc(-c6cccc7ccsc67)ccc4C5(c4ccccc4)c4ccccc4)c4cccc5ccsc45)ccc32)cc1
InChIInChI=1S/C66H43NS2/c1-5-19-47(20-6-1)65(48-21-7-2-8-22-48)58-29-14-13-27-54(58)56-42-51(32-35-60(56)65)67(62-30-16-18-45-38-40-69-64(45)62)52-33-36-61-57(43-52)55-41-46(53-28-15-17-44-37-39-68-63(44)53)31-34-59(55)66(61,49-23-9-3-10-24-49)50-25-11-4-12-26-50/h1-43H
InChIKeyCHCCCCYZICCCIQ-UHFFFAOYSA-N
XLogP17.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.21
LogP ≤ 517.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine
CID 177099122
N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine
CID 177098702
N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-1-benzothiophen-7-amine
CID 177098864
N,N-bis(9,9-diphenylfluoren-3-yl)-1-benzothiophen-4-amine
CID 177098967
N-(9,9-diphenylfluoren-3-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-1-benzothiophen-5-amine
CID 177098746
N-[4-(1-benzothiophen-5-yl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 177098975
N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine
CID 121423447
N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304646
N,N-bis(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 121423738
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168789109
N,N-dinaphthalen-1-yl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 146247516
N-[4-(1-benzothiophen-5-yl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 177099024

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-benzothiophen-7-yl)-9,9-diphenylfluoren-3-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine?
The IUPAC name of N-[6-(1-benzothiophen-7-yl)-9,9-diphenylfluoren-3-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine (CID 177099018) is N-[6-(1-benzothiophen-7-yl)-9,9-diphenylfluoren-3-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine.
What is the SMILES notation for N-[6-(1-benzothiophen-7-yl)-9,9-diphenylfluoren-3-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine?
The canonical SMILES for N-[6-(1-benzothiophen-7-yl)-9,9-diphenylfluoren-3-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5c(c4)-c4cc(-c6cccc7ccsc67)ccc4C5(c4ccccc4)c4ccccc4)c4cccc5ccsc45)ccc32)cc1.
What is the InChIKey of N-[6-(1-benzothiophen-7-yl)-9,9-diphenylfluoren-3-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine?
The InChIKey is CHCCCCYZICCCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43NS2/c1-5-19-47(20-6-1)65(48-21-7-2-8-22-48)58-29-14-13-27-54(58)56-42-51(32-35-60(56)65)67(62-30-16-18-45-38-40-69-64(45)62)52-33-36-61-57(43-52)55-41-46(53-28-15-17-44-37-39-68-63(44)53)31-34-59(55)66(61,49-23-9-3-10-24-49)50-25-11-4-12-26-50/h1-43H.
What are the key properties of N-[6-(1-benzothiophen-7-yl)-9,9-diphenylfluoren-3-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine?
N-[6-(1-benzothiophen-7-yl)-9,9-diphenylfluoren-3-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine has a molecular weight of 914.21 g/mol, XLogP of 17.98, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-benzothiophen-7-yl)-9,9-diphenylfluoren-3-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine is sourced from PubChem (CID 177099018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).