N-[4-(10,10-diphenylindeno[1,2-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

C55H37NS — CID 156550182

IUPACN-[4-(10,10-diphenylindeno[1,2-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4-c4sc6ccccc6c4C5(c4ccccc4)c4ccccc4)cc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C55H37NS/c1-4-15-38(16-5-1)40-27-32-45(33-28-40)56(47-36-29-39-17-10-11-18-42(39)37-47)46-34-30-41(31-35-46)48-24-14-25-50-52(48)54-53(49-23-12-13-26-51(49)57-54)55(50,43-19-6-2-7-20-43)44-21-8-3-9-22-44/h1-37H
InChIKeyLOMGHIWMSVKSBZ-UHFFFAOYSA-N
MW743.98 g/mol
LogP15.22
Rot. Bonds7

About N-[4-(10,10-diphenylindeno[1,2-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

N-[4-(10,10-diphenylindeno[1,2-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 156550182) has the molecular formula C55H37NS and a molecular weight of 743.98 g/mol. Its IUPAC name is N-[4-(10,10-diphenylindeno[1,2-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(10,10-diphenylindeno[1,2-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID156550182
Molecular FormulaC55H37NS
Molecular Weight743.98 g/mol
Exact Mass743.26
IUPAC NameN-[4-(10,10-diphenylindeno[1,2-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4-c4sc6ccccc6c4C5(c4ccccc4)c4ccccc4)cc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C55H37NS/c1-4-15-38(16-5-1)40-27-32-45(33-28-40)56(47-36-29-39-17-10-11-18-42(39)37-47)46-34-30-41(31-35-46)48-24-14-25-50-52(48)54-53(49-23-12-13-26-51(49)57-54)55(50,43-19-6-2-7-20-43)44-21-8-3-9-22-44/h1-37H
InChIKeyLOMGHIWMSVKSBZ-UHFFFAOYSA-N
XLogP15.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.98
LogP ≤ 515.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 166565662
3-N',4-N-dinaphthalen-2-yl-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine
CID 134529903
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 169020035
3-(10,10-diphenylindeno[1,2-b][1]benzothiol-1-yl)-N,N-bis(4-phenylphenyl)aniline
CID 156550026
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 169019866
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-naphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 169020066
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 165010154
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
CID 169019479
N-[3-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 156550210
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 169019849
5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604879
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 172544905

Frequently Asked Questions

What is the IUPAC name of N-[4-(10,10-diphenylindeno[1,2-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-(10,10-diphenylindeno[1,2-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (CID 156550182) is N-[4-(10,10-diphenylindeno[1,2-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-(10,10-diphenylindeno[1,2-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-(10,10-diphenylindeno[1,2-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4-c4sc6ccccc6c4C5(c4ccccc4)c4ccccc4)cc3)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-[4-(10,10-diphenylindeno[1,2-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is LOMGHIWMSVKSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NS/c1-4-15-38(16-5-1)40-27-32-45(33-28-40)56(47-36-29-39-17-10-11-18-42(39)37-47)46-34-30-41(31-35-46)48-24-14-25-50-52(48)54-53(49-23-12-13-26-51(49)57-54)55(50,43-19-6-2-7-20-43)44-21-8-3-9-22-44/h1-37H.
What are the key properties of N-[4-(10,10-diphenylindeno[1,2-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
N-[4-(10,10-diphenylindeno[1,2-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 743.98 g/mol, XLogP of 15.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(10,10-diphenylindeno[1,2-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 156550182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).