N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-fluorene]-4-amine

C53H35NS — CID 160623391

IUPACN-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-fluorene]-4-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3Sc3cc5ccccc5cc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C53H35NS/c1-3-16-36(17-4-1)37-30-32-41(33-31-37)54(49-28-14-11-22-42(49)38-18-5-2-6-19-38)50-29-15-27-47-52(50)55-51-35-40-21-8-7-20-39(40)34-48(51)53(47)45-25-12-9-23-43(45)44-24-10-13-26-46(44)53/h1-35H
InChIKeyLMIMRNWSETUAAV-UHFFFAOYSA-N
MW717.94 g/mol
LogP14.47
Rot. Bonds5

About N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-fluorene]-4-amine

N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-fluorene]-4-amine (PubChem CID 160623391) has the molecular formula C53H35NS and a molecular weight of 717.94 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-fluorene]-4-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-fluorene]-4-amine
PubChem CID160623391
Molecular FormulaC53H35NS
Molecular Weight717.94 g/mol
Exact Mass717.25
IUPAC NameN-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-fluorene]-4-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3Sc3cc5ccccc5cc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C53H35NS/c1-3-16-36(17-4-1)37-30-32-41(33-31-37)54(49-28-14-11-22-42(49)38-18-5-2-6-19-38)50-29-15-27-47-52(50)55-51-35-40-21-8-7-20-39(40)34-48(51)53(47)45-25-12-9-23-43(45)44-24-10-13-26-46(44)53/h1-35H
InChIKeyLMIMRNWSETUAAV-UHFFFAOYSA-N
XLogP14.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.94
LogP ≤ 514.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-phenylphenyl)phenyl]-N-spiro[benzo[b]thioxanthene-12,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476524
N-[2-(4-phenylphenyl)phenyl]-N-spiro[benzo[b]thioxanthene-12,9'-fluorene]-2'-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477675
N,N-bis(2-phenylphenyl)spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine;N,N-bis(4-phenylphenyl)spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine;N-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 160804380
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158116026
N-[4-(4-phenylphenyl)phenyl]-N-spiro[benzo[b]thioxanthene-12,9'-fluorene]-2'-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477662
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4'-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 161343629
N-(4-fluoranthen-8-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 139499028
2'-[4-(N-phenylanilino)phenyl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 140915456
N-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 167176838
N-(4-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 159418135
N-[4-(12,12-dimethylspiro[benzo[a]anthracene-7,9'-thioxanthene]-4'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 158479968
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-9-amine
CID 145144949

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-fluorene]-4-amine?
The IUPAC name of N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-fluorene]-4-amine (CID 160623391) is N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-fluorene]-4-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-fluorene]-4-amine?
The canonical SMILES for N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-fluorene]-4-amine is c1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3Sc3cc5ccccc5cc3C43c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-fluorene]-4-amine?
The InChIKey is LMIMRNWSETUAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NS/c1-3-16-36(17-4-1)37-30-32-41(33-31-37)54(49-28-14-11-22-42(49)38-18-5-2-6-19-38)50-29-15-27-47-52(50)55-51-35-40-21-8-7-20-39(40)34-48(51)53(47)45-25-12-9-23-43(45)44-24-10-13-26-46(44)53/h1-35H.
What are the key properties of N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-fluorene]-4-amine?
N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-fluorene]-4-amine has a molecular weight of 717.94 g/mol, XLogP of 14.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[b]thioxanthene-12,9'-fluorene]-4-amine is sourced from PubChem (CID 160623391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).