7-N-cyclohexa-1,3-dien-1-yl-2-N,7-N-bis(9-ethylcarbazol-3-yl)-2-N-phenylspiro[fluorene-9,9'-thioxanthene]-2,7-diamine

C65H50N4S — CID 146553201

IUPAC7-N-cyclohexa-1,3-dien-1-yl-2-N,7-N-bis(9-ethylcarbazol-3-yl)-2-N-phenylspiro[fluorene-9,9'-thioxanthene]-2,7-diamine
SMILESCCn1c2ccccc2c2cc(N(C3=CC=CCC3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3cc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6CC)ccc3-4)ccc21
InChIInChI=1S/C65H50N4S/c1-3-66-59-27-15-11-23-51(59)53-39-45(33-37-61(53)66)68(43-19-7-5-8-20-43)47-31-35-49-50-36-32-48(42-58(50)65(57(49)41-47)55-25-13-17-29-63(55)70-64-30-18-14-26-56(64)65)69(44-21-9-6-10-22-44)46-34-38-62-54(40-46)52-24-12-16-28-60(52)67(62)4-2/h5-9,11-21,23-42H,3-4,10,22H2,1-2H3
InChIKeyHYPIISXINUAZSF-UHFFFAOYSA-N
MW919.21 g/mol
LogP17.61
Rot. Bonds8

About 7-N-cyclohexa-1,3-dien-1-yl-2-N,7-N-bis(9-ethylcarbazol-3-yl)-2-N-phenylspiro[fluorene-9,9'-thioxanthene]-2,7-diamine

7-N-cyclohexa-1,3-dien-1-yl-2-N,7-N-bis(9-ethylcarbazol-3-yl)-2-N-phenylspiro[fluorene-9,9'-thioxanthene]-2,7-diamine (PubChem CID 146553201) has the molecular formula C65H50N4S and a molecular weight of 919.21 g/mol. Its IUPAC name is 7-N-cyclohexa-1,3-dien-1-yl-2-N,7-N-bis(9-ethylcarbazol-3-yl)-2-N-phenylspiro[fluorene-9,9'-thioxanthene]-2,7-diamine.

Molecular Properties

Compound Name7-N-cyclohexa-1,3-dien-1-yl-2-N,7-N-bis(9-ethylcarbazol-3-yl)-2-N-phenylspiro[fluorene-9,9'-thioxanthene]-2,7-diamine
PubChem CID146553201
Molecular FormulaC65H50N4S
Molecular Weight919.21 g/mol
Exact Mass918.38
IUPAC Name7-N-cyclohexa-1,3-dien-1-yl-2-N,7-N-bis(9-ethylcarbazol-3-yl)-2-N-phenylspiro[fluorene-9,9'-thioxanthene]-2,7-diamine
SMILESCCn1c2ccccc2c2cc(N(C3=CC=CCC3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3cc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6CC)ccc3-4)ccc21
InChIInChI=1S/C65H50N4S/c1-3-66-59-27-15-11-23-51(59)53-39-45(33-37-61(53)66)68(43-19-7-5-8-20-43)47-31-35-49-50-36-32-48(42-58(50)65(57(49)41-47)55-25-13-17-29-63(55)70-64-30-18-14-26-56(64)65)69(44-21-9-6-10-22-44)46-34-38-62-54(40-46)52-24-12-16-28-60(52)67(62)4-2/h5-9,11-21,23-42H,3-4,10,22H2,1-2H3
InChIKeyHYPIISXINUAZSF-UHFFFAOYSA-N
XLogP17.61
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.21
LogP ≤ 517.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-N-cyclohexa-1,3-dien-1-yl-2-N,7-N-bis(9-ethylcarbazol-3-yl)-2-N-phenylspiro[fluorene-9,9'-thioxanthene]-2,7-diamine with MolForge

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Related Compounds

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,7-N-bis(9-ethyl-6-phenylsulfanylcarbazol-3-yl)-2-N,7-N-diphenylspiro[fluorene-9,9'-thioxanthene]-2,7-diamine
CID 146553754
7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine
CID 143993809
7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane
CID 143993808
N-cyclohexa-1,3-dien-1-yl-9-phenyl-N-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-ylcarbazol-3-amine
CID 138582560
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476029
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
6-N-cyclohexa-1,3-dien-1-yl-6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,24-dimethyl-21-N-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
CID 89104265
9-N-cyclohexa-1,3-dien-1-yl-7,7-dimethyl-5-N,5-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine
CID 131994114
9-phenyl-N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)carbazol-2-amine
CID 164960518
N,N-diphenylspiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine
CID 164730946
N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 146658906

Frequently Asked Questions

What is the IUPAC name of 7-N-cyclohexa-1,3-dien-1-yl-2-N,7-N-bis(9-ethylcarbazol-3-yl)-2-N-phenylspiro[fluorene-9,9'-thioxanthene]-2,7-diamine?
The IUPAC name of 7-N-cyclohexa-1,3-dien-1-yl-2-N,7-N-bis(9-ethylcarbazol-3-yl)-2-N-phenylspiro[fluorene-9,9'-thioxanthene]-2,7-diamine (CID 146553201) is 7-N-cyclohexa-1,3-dien-1-yl-2-N,7-N-bis(9-ethylcarbazol-3-yl)-2-N-phenylspiro[fluorene-9,9'-thioxanthene]-2,7-diamine.
What is the SMILES notation for 7-N-cyclohexa-1,3-dien-1-yl-2-N,7-N-bis(9-ethylcarbazol-3-yl)-2-N-phenylspiro[fluorene-9,9'-thioxanthene]-2,7-diamine?
The canonical SMILES for 7-N-cyclohexa-1,3-dien-1-yl-2-N,7-N-bis(9-ethylcarbazol-3-yl)-2-N-phenylspiro[fluorene-9,9'-thioxanthene]-2,7-diamine is CCn1c2ccccc2c2cc(N(C3=CC=CCC3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3cc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6CC)ccc3-4)ccc21.
What is the InChIKey of 7-N-cyclohexa-1,3-dien-1-yl-2-N,7-N-bis(9-ethylcarbazol-3-yl)-2-N-phenylspiro[fluorene-9,9'-thioxanthene]-2,7-diamine?
The InChIKey is HYPIISXINUAZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H50N4S/c1-3-66-59-27-15-11-23-51(59)53-39-45(33-37-61(53)66)68(43-19-7-5-8-20-43)47-31-35-49-50-36-32-48(42-58(50)65(57(49)41-47)55-25-13-17-29-63(55)70-64-30-18-14-26-56(64)65)69(44-21-9-6-10-22-44)46-34-38-62-54(40-46)52-24-12-16-28-60(52)67(62)4-2/h5-9,11-21,23-42H,3-4,10,22H2,1-2H3.
What are the key properties of 7-N-cyclohexa-1,3-dien-1-yl-2-N,7-N-bis(9-ethylcarbazol-3-yl)-2-N-phenylspiro[fluorene-9,9'-thioxanthene]-2,7-diamine?
7-N-cyclohexa-1,3-dien-1-yl-2-N,7-N-bis(9-ethylcarbazol-3-yl)-2-N-phenylspiro[fluorene-9,9'-thioxanthene]-2,7-diamine has a molecular weight of 919.21 g/mol, XLogP of 17.61, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-cyclohexa-1,3-dien-1-yl-2-N,7-N-bis(9-ethylcarbazol-3-yl)-2-N-phenylspiro[fluorene-9,9'-thioxanthene]-2,7-diamine is sourced from PubChem (CID 146553201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).