N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine

C204H132N4S4 — CID 165022027

IUPACN-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine
SMILESc1ccc(-c2cc3ccccc3cc2N(c2ccccc2)c2ccc3c4c(cccc24)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)cc1.c1ccc(-c2ccc3cc(N(c4ccccc4)c4ccc5c6c(cccc46)C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)ccc3c2)cc1.c1ccc(-c2ccc3ccccc3c2N(c2ccccc2)c2ccc3c4c(cccc24)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)cc1.c1ccc(-c2cccc3c(N(c4ccccc4)c4ccc5c6c(cccc46)C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)cccc23)cc1
InChIInChI=1S/4C51H33NS/c1-3-16-34(17-4-1)36-21-13-23-39-37(36)22-15-29-46(39)52(35-18-5-2-6-19-35)47-33-32-40-38-20-7-8-25-42(38)51(45-28-14-24-41(47)50(40)45)43-26-9-11-30-48(43)53-49-31-12-10-27-44(49)51;1-3-14-34(15-4-1)35-26-27-37-33-39(29-28-36(37)32-35)52(38-16-5-2-6-17-38)47-31-30-41-40-18-7-8-20-43(40)51(46-23-13-19-42(47)50(41)46)44-21-9-11-24-48(44)53-49-25-12-10-22-45(49)51;1-3-16-34(17-4-1)41-32-35-18-7-8-19-36(35)33-47(41)52(37-20-5-2-6-21-37)46-31-30-39-38-22-9-10-24-42(38)51(45-27-15-23-40(46)50(39)45)43-25-11-13-28-48(43)53-49-29-14-12-26-44(49)51;1-3-16-34(17-4-1)38-31-30-35-18-7-8-21-37(35)50(38)52(36-19-5-2-6-20-36)46-33-32-40-39-22-9-10-24-42(39)51(45-27-15-23-41(46)49(40)45)43-25-11-13-28-47(43)53-48-29-14-12-26-44(48)51/h4*1-33H
InChIKeyLHOXADXVORLYDC-UHFFFAOYSA-N
MW2767.60 g/mol
LogP55.83
Rot. Bonds16

About N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine

N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine (PubChem CID 165022027) has the molecular formula C204H132N4S4 and a molecular weight of 2767.60 g/mol. Its IUPAC name is N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine.

Molecular Properties

Compound NameN-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine
PubChem CID165022027
Molecular FormulaC204H132N4S4
Molecular Weight2767.60 g/mol
Exact Mass2764.93
IUPAC NameN-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine
SMILESc1ccc(-c2cc3ccccc3cc2N(c2ccccc2)c2ccc3c4c(cccc24)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)cc1.c1ccc(-c2ccc3cc(N(c4ccccc4)c4ccc5c6c(cccc46)C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)ccc3c2)cc1.c1ccc(-c2ccc3ccccc3c2N(c2ccccc2)c2ccc3c4c(cccc24)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)cc1.c1ccc(-c2cccc3c(N(c4ccccc4)c4ccc5c6c(cccc46)C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)cccc23)cc1
InChIInChI=1S/4C51H33NS/c1-3-16-34(17-4-1)36-21-13-23-39-37(36)22-15-29-46(39)52(35-18-5-2-6-19-35)47-33-32-40-38-20-7-8-25-42(38)51(45-28-14-24-41(47)50(40)45)43-26-9-11-30-48(43)53-49-31-12-10-27-44(49)51;1-3-14-34(15-4-1)35-26-27-37-33-39(29-28-36(37)32-35)52(38-16-5-2-6-17-38)47-31-30-41-40-18-7-8-20-43(40)51(46-23-13-19-42(47)50(41)46)44-21-9-11-24-48(44)53-49-25-12-10-22-45(49)51;1-3-16-34(17-4-1)41-32-35-18-7-8-19-36(35)33-47(41)52(37-20-5-2-6-21-37)46-31-30-39-38-22-9-10-24-42(38)51(45-27-15-23-40(46)50(39)45)43-25-11-13-28-48(43)53-49-29-14-12-26-44(49)51;1-3-16-34(17-4-1)38-31-30-35-18-7-8-21-37(35)50(38)52(36-19-5-2-6-20-36)46-33-32-40-39-22-9-10-24-42(39)51(45-27-15-23-41(46)49(40)45)43-25-11-13-28-47(43)53-48-29-14-12-26-44(48)51/h4*1-33H
InChIKeyLHOXADXVORLYDC-UHFFFAOYSA-N
XLogP55.83
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms212
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002767.60
LogP ≤ 555.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine with MolForge

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Related Compounds

N,3-diphenyl-N-(3-phenylnaphthalen-2-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine
CID 164977572
N-naphthalen-1-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-amine
CID 164794895
5',5'-dimethyl-N-naphthalen-2-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine
CID 165099013
5',5'-dimethyl-N-naphthalen-2-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine
CID 164959374
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-amine;N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-amine;methane;N-naphthalen-1-yl-3-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine;N-naphthalen-1-yl-9'-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine;N-naphthalen-1-yl-9'-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-3-amine;N-naphthalen-1-yl-9'-phenyl-N-(3-phenylnaphthalen-2-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine;N-naphthalen-1-yl-9'-phenyl-N-(3-phenylnaphthalen-2-yl)-7,7'-spirobi[benzo[a]phenalene]-3-amine
CID 165069317
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
methane;N-naphthalen-1-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-9-amine;N-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-9-amine;N-naphthalen-2-yl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-9-amine;N-naphthalen-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-9-amine
CID 164999699
N-naphthalen-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine
CID 164793891
5',5'-dimethyl-N-naphthalen-1-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-naphthalen-2-yl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-naphthalen-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine
CID 165063793
N-naphthalen-1-yl-9'-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine
CID 164965151
N-(4-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 159769520
N-(4-naphthalen-1-ylphenyl)-3'-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-(4-naphthalen-2-ylphenyl)-3'-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(4-phenylphenyl)-N,N-di(triphenylen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 161164298

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine?
The IUPAC name of N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine (CID 165022027) is N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine.
What is the SMILES notation for N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine?
The canonical SMILES for N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine is c1ccc(-c2cc3ccccc3cc2N(c2ccccc2)c2ccc3c4c(cccc24)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)cc1.c1ccc(-c2ccc3cc(N(c4ccccc4)c4ccc5c6c(cccc46)C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)ccc3c2)cc1.c1ccc(-c2ccc3ccccc3c2N(c2ccccc2)c2ccc3c4c(cccc24)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)cc1.c1ccc(-c2cccc3c(N(c4ccccc4)c4ccc5c6c(cccc46)C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)cccc23)cc1.
What is the InChIKey of N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine?
The InChIKey is LHOXADXVORLYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C51H33NS/c1-3-16-34(17-4-1)36-21-13-23-39-37(36)22-15-29-46(39)52(35-18-5-2-6-19-35)47-33-32-40-38-20-7-8-25-42(38)51(45-28-14-24-41(47)50(40)45)43-26-9-11-30-48(43)53-49-31-12-10-27-44(49)51;1-3-14-34(15-4-1)35-26-27-37-33-39(29-28-36(37)32-35)52(38-16-5-2-6-17-38)47-31-30-41-40-18-7-8-20-43(40)51(46-23-13-19-42(47)50(41)46)44-21-9-11-24-48(44)53-49-25-12-10-22-45(49)51;1-3-16-34(17-4-1)41-32-35-18-7-8-19-36(35)33-47(41)52(37-20-5-2-6-21-37)46-31-30-39-38-22-9-10-24-42(38)51(45-27-15-23-40(46)50(39)45)43-25-11-13-28-48(43)53-49-29-14-12-26-44(49)51;1-3-16-34(17-4-1)38-31-30-35-18-7-8-21-37(35)50(38)52(36-19-5-2-6-20-36)46-33-32-40-39-22-9-10-24-42(39)51(45-27-15-23-41(46)49(40)45)43-25-11-13-28-47(43)53-48-29-14-12-26-44(48)51/h4*1-33H.
What are the key properties of N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine?
N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine has a molecular weight of 2767.60 g/mol, XLogP of 55.83, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine is sourced from PubChem (CID 165022027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).