N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;N-(2,6-diphenylphenyl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine

C195H126N6S3 — CID 165003901

IUPACN,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;N-(2,6-diphenylphenyl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3ccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6S5)c5ccccc5-c5cccc6cccc4c56)cc32)cc1.c1ccc(-c2cccc(-c3ccccc3)c2N(c2ccc3c(c2)C2(c4ccccc4S3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4S3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c4ccccc4n(-c4ccccc4-c4ccccc4)c3c2)cc1
InChIInChI=1S/3C65H42N2S/c1-4-19-43(20-5-1)49-29-18-30-50(44-21-6-2-7-22-44)64(49)66(48-37-39-53-52-28-11-14-35-59(52)67(60(53)42-48)46-25-8-3-9-26-46)47-38-40-62-58(41-47)65(56-33-13-15-36-61(56)68-62)55-32-12-10-27-51(55)54-31-16-23-45-24-17-34-57(65)63(45)54;1-4-19-43(20-5-1)49-29-18-30-50(44-21-6-2-7-22-44)64(49)67-59-35-14-11-28-52(59)53-39-37-48(42-60(53)67)66(46-25-8-3-9-26-46)47-38-40-62-58(41-47)65(56-33-13-15-36-61(56)68-62)55-32-12-10-27-51(55)54-31-16-23-45-24-17-34-57(65)63(45)54;1-3-19-43(20-4-1)48-25-8-13-33-58(48)66(47-37-39-52-51-28-10-15-35-60(51)67(61(52)42-47)59-34-14-9-26-49(59)44-21-5-2-6-22-44)46-38-40-63-57(41-46)65(55-31-12-16-36-62(55)68-63)54-30-11-7-27-50(54)53-29-17-23-45-24-18-32-56(65)64(45)53/h3*1-42H
InChIKeyIRCRDYXMPZZJCI-UHFFFAOYSA-N
MW2649.40 g/mol
LogP52.71
Rot. Bonds18

About N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;N-(2,6-diphenylphenyl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine

N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;N-(2,6-diphenylphenyl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine (PubChem CID 165003901) has the molecular formula C195H126N6S3 and a molecular weight of 2649.40 g/mol. Its IUPAC name is N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;N-(2,6-diphenylphenyl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine.

Molecular Properties

Compound NameN,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;N-(2,6-diphenylphenyl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine
PubChem CID165003901
Molecular FormulaC195H126N6S3
Molecular Weight2649.40 g/mol
Exact Mass2646.92
IUPAC NameN,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;N-(2,6-diphenylphenyl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3ccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6S5)c5ccccc5-c5cccc6cccc4c56)cc32)cc1.c1ccc(-c2cccc(-c3ccccc3)c2N(c2ccc3c(c2)C2(c4ccccc4S3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4S3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c4ccccc4n(-c4ccccc4-c4ccccc4)c3c2)cc1
InChIInChI=1S/3C65H42N2S/c1-4-19-43(20-5-1)49-29-18-30-50(44-21-6-2-7-22-44)64(49)66(48-37-39-53-52-28-11-14-35-59(52)67(60(53)42-48)46-25-8-3-9-26-46)47-38-40-62-58(41-47)65(56-33-13-15-36-61(56)68-62)55-32-12-10-27-51(55)54-31-16-23-45-24-17-34-57(65)63(45)54;1-4-19-43(20-5-1)49-29-18-30-50(44-21-6-2-7-22-44)64(49)67-59-35-14-11-28-52(59)53-39-37-48(42-60(53)67)66(46-25-8-3-9-26-46)47-38-40-62-58(41-47)65(56-33-13-15-36-61(56)68-62)55-32-12-10-27-51(55)54-31-16-23-45-24-17-34-57(65)63(45)54;1-3-19-43(20-4-1)48-25-8-13-33-58(48)66(47-37-39-52-51-28-10-15-35-60(51)67(61(52)42-47)59-34-14-9-26-49(59)44-21-5-2-6-22-44)46-38-40-63-57(41-46)65(55-31-12-16-36-62(55)68-63)54-30-11-7-27-50(54)53-29-17-23-45-24-18-32-56(65)64(45)53/h3*1-42H
InChIKeyIRCRDYXMPZZJCI-UHFFFAOYSA-N
XLogP52.71
TPSA24.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms204
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002649.40
LogP ≤ 552.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;N-(2,6-diphenylphenyl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine with MolForge

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Related Compounds

N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;N-phenyl-9-(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-phenyl-N-(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine
CID 165106958
N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;9-phenyl-N-(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 165007618
N,9-dinaphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine;N-(2,6-diphenylphenyl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine;N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine;9-naphthalen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
CID 165042645
N-(2,6-diphenylphenyl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;9-naphthalen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 165026256
N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N,9-dinaphthalen-1-ylcarbazol-2-amine;N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-(2,6-diphenylphenyl)-9-phenylcarbazol-2-amine;N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-9-(2,6-diphenylphenyl)-N-phenylcarbazol-2-amine;N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-9-naphthalen-1-yl-N-phenylcarbazol-2-amine
CID 165052941
N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
CID 164794962
N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine
CID 164794575
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine
CID 164794703
9-phenyl-N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)carbazol-2-amine
CID 164960518
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-3-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164961963
N-dibenzothiophen-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164794564
N-naphthalen-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine
CID 164793891

Frequently Asked Questions

What is the IUPAC name of N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;N-(2,6-diphenylphenyl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine?
The IUPAC name of N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;N-(2,6-diphenylphenyl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine (CID 165003901) is N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;N-(2,6-diphenylphenyl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine.
What is the SMILES notation for N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;N-(2,6-diphenylphenyl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine?
The canonical SMILES for N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;N-(2,6-diphenylphenyl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine is c1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3ccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6S5)c5ccccc5-c5cccc6cccc4c56)cc32)cc1.c1ccc(-c2cccc(-c3ccccc3)c2N(c2ccc3c(c2)C2(c4ccccc4S3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4S3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c4ccccc4n(-c4ccccc4-c4ccccc4)c3c2)cc1.
What is the InChIKey of N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;N-(2,6-diphenylphenyl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine?
The InChIKey is IRCRDYXMPZZJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C65H42N2S/c1-4-19-43(20-5-1)49-29-18-30-50(44-21-6-2-7-22-44)64(49)66(48-37-39-53-52-28-11-14-35-59(52)67(60(53)42-48)46-25-8-3-9-26-46)47-38-40-62-58(41-47)65(56-33-13-15-36-61(56)68-62)55-32-12-10-27-51(55)54-31-16-23-45-24-17-34-57(65)63(45)54;1-4-19-43(20-5-1)49-29-18-30-50(44-21-6-2-7-22-44)64(49)67-59-35-14-11-28-52(59)53-39-37-48(42-60(53)67)66(46-25-8-3-9-26-46)47-38-40-62-58(41-47)65(56-33-13-15-36-61(56)68-62)55-32-12-10-27-51(55)54-31-16-23-45-24-17-34-57(65)63(45)54;1-3-19-43(20-4-1)48-25-8-13-33-58(48)66(47-37-39-52-51-28-10-15-35-60(51)67(61(52)42-47)59-34-14-9-26-49(59)44-21-5-2-6-22-44)46-38-40-63-57(41-46)65(55-31-12-16-36-62(55)68-63)54-30-11-7-27-50(54)53-29-17-23-45-24-18-32-56(65)64(45)53/h3*1-42H.
What are the key properties of N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;N-(2,6-diphenylphenyl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine?
N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;N-(2,6-diphenylphenyl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine has a molecular weight of 2649.40 g/mol, XLogP of 52.71, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;N-(2,6-diphenylphenyl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine is sourced from PubChem (CID 165003901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).