2-N',7-N'-bis(9-ethyl-7-phenoxycarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2',7'-diamine

C75H56N4O4S2 — CID 146553011

IUPAC2-N',7-N'-bis(9-ethyl-7-phenoxycarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2',7'-diamine
SMILESCCn1c2cc(Oc3ccccc3)ccc2c2ccc(N(c3ccc(OC)cc3)c3ccc4c(c3)C3(c5cc(N(c6ccc(OC)cc6)c6ccc7c8ccc(Oc9ccccc9)cc8n(CC)c7c6)ccc5-4)c4ccsc4-c4sccc43)cc21
InChIInChI=1S/C75H56N4O4S2/c1-5-76-69-43-51(23-33-61(69)63-35-29-57(45-71(63)76)82-55-13-9-7-10-14-55)78(47-17-25-53(80-3)26-18-47)49-21-31-59-60-32-22-50(42-68(60)75(67(59)41-49)65-37-39-84-73(65)74-66(75)38-40-85-74)79(48-19-27-54(81-4)28-20-48)52-24-34-62-64-36-30-58(83-56-15-11-8-12-16-56)46-72(64)77(6-2)70(62)44-52/h7-46H,5-6H2,1-4H3
InChIKeyYZRZLWRLIFUKIZ-UHFFFAOYSA-N
MW1141.43 g/mol
LogP20.95
Rot. Bonds14

About 2-N',7-N'-bis(9-ethyl-7-phenoxycarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2',7'-diamine

2-N',7-N'-bis(9-ethyl-7-phenoxycarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2',7'-diamine (PubChem CID 146553011) has the molecular formula C75H56N4O4S2 and a molecular weight of 1141.43 g/mol. Its IUPAC name is 2-N',7-N'-bis(9-ethyl-7-phenoxycarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2',7'-diamine.

Molecular Properties

Compound Name2-N',7-N'-bis(9-ethyl-7-phenoxycarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2',7'-diamine
PubChem CID146553011
Molecular FormulaC75H56N4O4S2
Molecular Weight1141.43 g/mol
Exact Mass1140.37
IUPAC Name2-N',7-N'-bis(9-ethyl-7-phenoxycarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2',7'-diamine
SMILESCCn1c2cc(Oc3ccccc3)ccc2c2ccc(N(c3ccc(OC)cc3)c3ccc4c(c3)C3(c5cc(N(c6ccc(OC)cc6)c6ccc7c8ccc(Oc9ccccc9)cc8n(CC)c7c6)ccc5-4)c4ccsc4-c4sccc43)cc21
InChIInChI=1S/C75H56N4O4S2/c1-5-76-69-43-51(23-33-61(69)63-35-29-57(45-71(63)76)82-55-13-9-7-10-14-55)78(47-17-25-53(80-3)26-18-47)49-21-31-59-60-32-22-50(42-68(60)75(67(59)41-49)65-37-39-84-73(65)74-66(75)38-40-85-74)79(48-19-27-54(81-4)28-20-48)52-24-34-62-64-36-30-58(83-56-15-11-8-12-16-56)46-72(64)77(6-2)70(62)44-52/h7-46H,5-6H2,1-4H3
InChIKeyYZRZLWRLIFUKIZ-UHFFFAOYSA-N
XLogP20.95
TPSA53.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001141.43
LogP ≤ 520.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-N',7-N'-bis(9-ethyl-7-phenoxycarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2',7'-diamine with MolForge

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Related Compounds

2-N',7-N'-bis(9-ethylcarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 146553016
2-N,7-N-bis(9-ethyl-7-methylcarbazol-2-yl)-2-N,7-N-bis(4-methoxyphenyl)spiro[fluorene-9,9'-thioxanthene]-2,7-diamine
CID 146553755
2-N,7-N-bis(9-ethyl-7-methylcarbazol-2-yl)-2-N,7-N-bis(4-methoxyphenyl)spiro[fluorene-9,9'-xanthene]-2,7-diamine
CID 146553281
2-N,7-N-bis(4-methoxyphenyl)-2-N,7-N-di(spiro[fluorene-9,9'-xanthene]-2-yl)-9-sulfanylcarbazole-2,7-diamine
CID 142611571
2-N',7-N'-di(cyclohexa-1,3-dien-1-yl)-2-N',7-N'-bis(9-ethyl-6-phenoxycarbazol-3-yl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 146553215
2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-phenoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 153431611
2-N',2-N',3-N,3-N,6-N,6-N,7-N',7-N'-octakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',3,6,7'-tetramine
CID 167156209
2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrakis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 57337080
2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 134516059
3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275887
N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
CID 20734434
2-N,7-N-bis(9-ethyl-6-phenylsulfanylcarbazol-3-yl)-2-N,7-N-diphenylspiro[fluorene-9,9'-thioxanthene]-2,7-diamine
CID 146553754

Frequently Asked Questions

What is the IUPAC name of 2-N',7-N'-bis(9-ethyl-7-phenoxycarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2',7'-diamine?
The IUPAC name of 2-N',7-N'-bis(9-ethyl-7-phenoxycarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2',7'-diamine (CID 146553011) is 2-N',7-N'-bis(9-ethyl-7-phenoxycarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2',7'-diamine.
What is the SMILES notation for 2-N',7-N'-bis(9-ethyl-7-phenoxycarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2',7'-diamine?
The canonical SMILES for 2-N',7-N'-bis(9-ethyl-7-phenoxycarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2',7'-diamine is CCn1c2cc(Oc3ccccc3)ccc2c2ccc(N(c3ccc(OC)cc3)c3ccc4c(c3)C3(c5cc(N(c6ccc(OC)cc6)c6ccc7c8ccc(Oc9ccccc9)cc8n(CC)c7c6)ccc5-4)c4ccsc4-c4sccc43)cc21.
What is the InChIKey of 2-N',7-N'-bis(9-ethyl-7-phenoxycarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2',7'-diamine?
The InChIKey is YZRZLWRLIFUKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H56N4O4S2/c1-5-76-69-43-51(23-33-61(69)63-35-29-57(45-71(63)76)82-55-13-9-7-10-14-55)78(47-17-25-53(80-3)26-18-47)49-21-31-59-60-32-22-50(42-68(60)75(67(59)41-49)65-37-39-84-73(65)74-66(75)38-40-85-74)79(48-19-27-54(81-4)28-20-48)52-24-34-62-64-36-30-58(83-56-15-11-8-12-16-56)46-72(64)77(6-2)70(62)44-52/h7-46H,5-6H2,1-4H3.
What are the key properties of 2-N',7-N'-bis(9-ethyl-7-phenoxycarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2',7'-diamine?
2-N',7-N'-bis(9-ethyl-7-phenoxycarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2',7'-diamine has a molecular weight of 1141.43 g/mol, XLogP of 20.95, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N',7-N'-bis(9-ethyl-7-phenoxycarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2',7'-diamine is sourced from PubChem (CID 146553011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).