2-(4-tert-butylphenyl)-5-[4-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]phenyl]-1,3,4-oxadiazole;4-[(E)-2-[10-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]-N,N-diphenylaniline;N,N-diphenyl-4-[(E)-2-[10-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]aniline;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]carbazole

C180H136N10O2S12 — CID 159005988

IUPAC2-(4-tert-butylphenyl)-5-[4-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]phenyl]-1,3,4-oxadiazole;4-[(E)-2-[10-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]-N,N-diphenylaniline;N,N-diphenyl-4-[(E)-2-[10-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]aniline;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]carbazole
SMILESC(=C/c1cc2sc3cc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)sc3c2s1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(/C=C/c4cc5sc6cc(/C=C/c7ccc(N(c8ccccc8)c8ccccc8)cc7)sc6c5s4)cc3)o2)cc1.CCn1c2ccccc2c2cc(/C=C/c3cc4sc5cc(/C=C/c6ccc(-c7nnc(-c8ccc(C(C)(C)C)cc8)o7)cc6)sc5c4s3)ccc21.CCn1c2ccccc2c2cc(/C=C/c3cc4sc5cc(/C=C/c6ccc7c(c6)c6ccccc6n7CC)sc5c4s3)ccc21
InChIInChI=1S/C48H37N3OS3.C48H34N2S3.C44H35N3OS3.C40H30N2S3/c1-48(2,3)36-24-22-35(23-25-36)47-50-49-46(52-47)34-20-14-32(15-21-34)18-28-40-30-42-44(53-40)45-43(55-42)31-41(54-45)29-19-33-16-26-39(27-17-33)51(37-10-6-4-7-11-37)38-12-8-5-9-13-38;1-5-13-37(14-6-1)49(38-15-7-2-8-16-38)41-27-21-35(22-28-41)25-31-43-33-45-47(51-43)48-46(53-45)34-44(52-48)32-26-36-23-29-42(30-24-36)50(39-17-9-3-10-18-39)40-19-11-4-12-20-40;1-5-47-36-9-7-6-8-34(36)35-24-28(14-23-37(35)47)13-22-33-26-39-41(50-33)40-38(51-39)25-32(49-40)21-12-27-10-15-29(16-11-27)42-45-46-43(48-42)30-17-19-31(20-18-30)44(2,3)4;1-3-41-33-11-7-5-9-29(33)31-21-25(15-19-35(31)41)13-17-27-23-37-39(43-27)40-38(45-37)24-28(44-40)18-14-26-16-20-36-32(22-26)30-10-6-8-12-34(30)42(36)4-2/h4-31H,1-3H3;1-34H;6-26H,5H2,1-4H3;5-24H,3-4H2,1-2H3/b28-18+,29-19+;31-25+,32-26+;21-12+,22-13+;17-13+,18-14+
InChIKeyJRXSQNCMJVUGOX-VUZFVYMGSA-N
MW2855.94 g/mol
LogP56.90
Rot. Bonds32

About 2-(4-tert-butylphenyl)-5-[4-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]phenyl]-1,3,4-oxadiazole;4-[(E)-2-[10-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]-N,N-diphenylaniline;N,N-diphenyl-4-[(E)-2-[10-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]aniline;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]carbazole

2-(4-tert-butylphenyl)-5-[4-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]phenyl]-1,3,4-oxadiazole;4-[(E)-2-[10-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]-N,N-diphenylaniline;N,N-diphenyl-4-[(E)-2-[10-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]aniline;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]carbazole (PubChem CID 159005988) has the molecular formula C180H136N10O2S12 and a molecular weight of 2855.94 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-[4-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]phenyl]-1,3,4-oxadiazole;4-[(E)-2-[10-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]-N,N-diphenylaniline;N,N-diphenyl-4-[(E)-2-[10-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]aniline;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]carbazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-[4-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]phenyl]-1,3,4-oxadiazole;4-[(E)-2-[10-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]-N,N-diphenylaniline;N,N-diphenyl-4-[(E)-2-[10-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]aniline;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]carbazole
PubChem CID159005988
Molecular FormulaC180H136N10O2S12
Molecular Weight2855.94 g/mol
Exact Mass2852.75
IUPAC Name2-(4-tert-butylphenyl)-5-[4-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]phenyl]-1,3,4-oxadiazole;4-[(E)-2-[10-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]-N,N-diphenylaniline;N,N-diphenyl-4-[(E)-2-[10-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]aniline;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]carbazole
SMILESC(=C/c1cc2sc3cc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)sc3c2s1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(/C=C/c4cc5sc6cc(/C=C/c7ccc(N(c8ccccc8)c8ccccc8)cc7)sc6c5s4)cc3)o2)cc1.CCn1c2ccccc2c2cc(/C=C/c3cc4sc5cc(/C=C/c6ccc(-c7nnc(-c8ccc(C(C)(C)C)cc8)o7)cc6)sc5c4s3)ccc21.CCn1c2ccccc2c2cc(/C=C/c3cc4sc5cc(/C=C/c6ccc7c(c6)c6ccccc6n7CC)sc5c4s3)ccc21
InChIInChI=1S/C48H37N3OS3.C48H34N2S3.C44H35N3OS3.C40H30N2S3/c1-48(2,3)36-24-22-35(23-25-36)47-50-49-46(52-47)34-20-14-32(15-21-34)18-28-40-30-42-44(53-40)45-43(55-42)31-41(54-45)29-19-33-16-26-39(27-17-33)51(37-10-6-4-7-11-37)38-12-8-5-9-13-38;1-5-13-37(14-6-1)49(38-15-7-2-8-16-38)41-27-21-35(22-28-41)25-31-43-33-45-47(51-43)48-46(53-45)34-44(52-48)32-26-36-23-29-42(30-24-36)50(39-17-9-3-10-18-39)40-19-11-4-12-20-40;1-5-47-36-9-7-6-8-34(36)35-24-28(14-23-37(35)47)13-22-33-26-39-41(50-33)40-38(51-39)25-32(49-40)21-12-27-10-15-29(16-11-27)42-45-46-43(48-42)30-17-19-31(20-18-30)44(2,3)4;1-3-41-33-11-7-5-9-29(33)31-21-25(15-19-35(31)41)13-17-27-23-37-39(43-27)40-38(45-37)24-28(44-40)18-14-26-16-20-36-32(22-26)30-10-6-8-12-34(30)42(36)4-2/h4-31H,1-3H3;1-34H;6-26H,5H2,1-4H3;5-24H,3-4H2,1-2H3/b28-18+,29-19+;31-25+,32-26+;21-12+,22-13+;17-13+,18-14+
InChIKeyJRXSQNCMJVUGOX-VUZFVYMGSA-N
XLogP56.90
TPSA102.35 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds32
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002855.94
LogP ≤ 556.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2-(4-tert-butylphenyl)-5-[4-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]phenyl]-1,3,4-oxadiazole;4-[(E)-2-[10-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]-N,N-diphenylaniline;N,N-diphenyl-4-[(E)-2-[10-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]aniline;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-[4-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]phenyl]-1,3,4-oxadiazole;4-[(E)-2-[10-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]-N,N-diphenylaniline;N,N-diphenyl-4-[(E)-2-[10-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]aniline;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]carbazole?
The IUPAC name of 2-(4-tert-butylphenyl)-5-[4-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]phenyl]-1,3,4-oxadiazole;4-[(E)-2-[10-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]-N,N-diphenylaniline;N,N-diphenyl-4-[(E)-2-[10-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]aniline;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]carbazole (CID 159005988) is 2-(4-tert-butylphenyl)-5-[4-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]phenyl]-1,3,4-oxadiazole;4-[(E)-2-[10-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]-N,N-diphenylaniline;N,N-diphenyl-4-[(E)-2-[10-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]aniline;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]carbazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-[4-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]phenyl]-1,3,4-oxadiazole;4-[(E)-2-[10-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]-N,N-diphenylaniline;N,N-diphenyl-4-[(E)-2-[10-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]aniline;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]carbazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-[4-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]phenyl]-1,3,4-oxadiazole;4-[(E)-2-[10-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]-N,N-diphenylaniline;N,N-diphenyl-4-[(E)-2-[10-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]aniline;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]carbazole is C(=C/c1cc2sc3cc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)sc3c2s1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(/C=C/c4cc5sc6cc(/C=C/c7ccc(N(c8ccccc8)c8ccccc8)cc7)sc6c5s4)cc3)o2)cc1.CCn1c2ccccc2c2cc(/C=C/c3cc4sc5cc(/C=C/c6ccc(-c7nnc(-c8ccc(C(C)(C)C)cc8)o7)cc6)sc5c4s3)ccc21.CCn1c2ccccc2c2cc(/C=C/c3cc4sc5cc(/C=C/c6ccc7c(c6)c6ccccc6n7CC)sc5c4s3)ccc21.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-[4-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]phenyl]-1,3,4-oxadiazole;4-[(E)-2-[10-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]-N,N-diphenylaniline;N,N-diphenyl-4-[(E)-2-[10-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]aniline;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]carbazole?
The InChIKey is JRXSQNCMJVUGOX-VUZFVYMGSA-N. The full InChI is InChI=1S/C48H37N3OS3.C48H34N2S3.C44H35N3OS3.C40H30N2S3/c1-48(2,3)36-24-22-35(23-25-36)47-50-49-46(52-47)34-20-14-32(15-21-34)18-28-40-30-42-44(53-40)45-43(55-42)31-41(54-45)29-19-33-16-26-39(27-17-33)51(37-10-6-4-7-11-37)38-12-8-5-9-13-38;1-5-13-37(14-6-1)49(38-15-7-2-8-16-38)41-27-21-35(22-28-41)25-31-43-33-45-47(51-43)48-46(53-45)34-44(52-48)32-26-36-23-29-42(30-24-36)50(39-17-9-3-10-18-39)40-19-11-4-12-20-40;1-5-47-36-9-7-6-8-34(36)35-24-28(14-23-37(35)47)13-22-33-26-39-41(50-33)40-38(51-39)25-32(49-40)21-12-27-10-15-29(16-11-27)42-45-46-43(48-42)30-17-19-31(20-18-30)44(2,3)4;1-3-41-33-11-7-5-9-29(33)31-21-25(15-19-35(31)41)13-17-27-23-37-39(43-27)40-38(45-37)24-28(44-40)18-14-26-16-20-36-32(22-26)30-10-6-8-12-34(30)42(36)4-2/h4-31H,1-3H3;1-34H;6-26H,5H2,1-4H3;5-24H,3-4H2,1-2H3/b28-18+,29-19+;31-25+,32-26+;21-12+,22-13+;17-13+,18-14+.
What are the key properties of 2-(4-tert-butylphenyl)-5-[4-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]phenyl]-1,3,4-oxadiazole;4-[(E)-2-[10-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]-N,N-diphenylaniline;N,N-diphenyl-4-[(E)-2-[10-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]aniline;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]carbazole?
2-(4-tert-butylphenyl)-5-[4-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]phenyl]-1,3,4-oxadiazole;4-[(E)-2-[10-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]-N,N-diphenylaniline;N,N-diphenyl-4-[(E)-2-[10-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]aniline;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]carbazole has a molecular weight of 2855.94 g/mol, XLogP of 56.90, 32 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-[4-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]phenyl]-1,3,4-oxadiazole;4-[(E)-2-[10-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]-N,N-diphenylaniline;N,N-diphenyl-4-[(E)-2-[10-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]aniline;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]ethenyl]carbazole is sourced from PubChem (CID 159005988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).