3-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;bis(5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole);N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline

C250H181N13 — CID 160871825

IUPAC3-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;bis(5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole);N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline
SMILESCCn1c2ccccc2c2cc(/C=C/c3cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)c3)ccc21.Cc1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1.c1ccc2c(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc4ccccc34)cccc2c1.c1ccc2c(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc4ccccc34)cccc2c1.c1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C66H52N2.C54H36N4.C54H45N3.2C38H24N2/c1-49-23-35-59(36-24-49)67(61-39-27-51(28-40-61)47-65(55-15-7-3-8-16-55)56-17-9-4-10-18-56)63-43-31-53(32-44-63)54-33-45-64(46-34-54)68(60-37-25-50(2)26-38-60)62-41-29-52(30-42-62)48-66(57-19-11-5-12-20-57)58-21-13-6-14-22-58;1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58;1-4-55-49-16-10-7-13-43(49)46-34-37(25-28-52(46)55)19-22-40-31-41(23-20-38-26-29-53-47(35-38)44-14-8-11-17-50(44)56(53)5-2)33-42(32-40)24-21-39-27-30-54-48(36-39)45-15-9-12-18-51(45)57(54)6-3;2*1-3-15-27-25(11-1)13-9-21-33(27)39-35-19-7-5-17-29(35)31-24-38-32(23-37(31)39)30-18-6-8-20-36(30)40(38)34-22-10-14-26-12-2-4-16-28(26)34/h3-48H,1-2H3;1-36H;7-36H,4-6H2,1-3H3;2*1-24H/b;;22-19+,23-20+,24-21+;;
InChIKeySLVYZXQKIMLXTI-SJXHMLRSSA-N
MW3367.29 g/mol
LogP67.49
Rot. Bonds32

About 3-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;bis(5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole);N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline

3-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;bis(5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole);N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline (PubChem CID 160871825) has the molecular formula C250H181N13 and a molecular weight of 3367.29 g/mol. Its IUPAC name is 3-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;bis(5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole);N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline.

Molecular Properties

Compound Name3-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;bis(5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole);N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline
PubChem CID160871825
Molecular FormulaC250H181N13
Molecular Weight3367.29 g/mol
Exact Mass3364.46
IUPAC Name3-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;bis(5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole);N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline
SMILESCCn1c2ccccc2c2cc(/C=C/c3cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)c3)ccc21.Cc1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1.c1ccc2c(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc4ccccc34)cccc2c1.c1ccc2c(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc4ccccc34)cccc2c1.c1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C66H52N2.C54H36N4.C54H45N3.2C38H24N2/c1-49-23-35-59(36-24-49)67(61-39-27-51(28-40-61)47-65(55-15-7-3-8-16-55)56-17-9-4-10-18-56)63-43-31-53(32-44-63)54-33-45-64(46-34-54)68(60-37-25-50(2)26-38-60)62-41-29-52(30-42-62)48-66(57-19-11-5-12-20-57)58-21-13-6-14-22-58;1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58;1-4-55-49-16-10-7-13-43(49)46-34-37(25-28-52(46)55)19-22-40-31-41(23-20-38-26-29-53-47(35-38)44-14-8-11-17-50(44)56(53)5-2)33-42(32-40)24-21-39-27-30-54-48(36-39)45-15-9-12-18-51(45)57(54)6-3;2*1-3-15-27-25(11-1)13-9-21-33(27)39-35-19-7-5-17-29(35)31-24-38-32(23-37(31)39)30-18-6-8-20-36(30)40(38)34-22-10-14-26-12-2-4-16-28(26)34/h3-48H,1-2H3;1-36H;7-36H,4-6H2,1-3H3;2*1-24H/b;;22-19+,23-20+,24-21+;;
InChIKeySLVYZXQKIMLXTI-SJXHMLRSSA-N
XLogP67.49
TPSA59.02 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds32
Heavy Atoms263
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003367.29
LogP ≤ 567.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 3-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;bis(5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole);N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline with MolForge

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Related Compounds

3-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazole;3-N,6-N-bis(9-ethylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;bis(5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole);4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 161262944
1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole
CID 161385391
N,N-bis(4-carbazol-9-ylphenyl)-4-[3-[8-(5-naphthalen-1-ylindolo[3,2-b]carbazol-11-yl)naphthalen-2-yl]carbazol-9-yl]aniline
CID 126595704
N-(4-carbazol-9-ylphenyl)-4-(9-ethylcarbazol-3-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-(9-methylcarbazol-3-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-phenylaniline
CID 160729774
N-[4-[2-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 76600747
N-phenyl-9-(4-phenylphenyl)-N-[4-[2-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]ethenyl]phenyl]carbazol-3-amine
CID 76557074
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271
9-[4-[2-[4-[4-[2,2-bis(4-carbazol-9-ylphenyl)ethenyl]phenyl]phenyl]-1-(4-carbazol-9-ylphenyl)ethenyl]phenyl]carbazole
CID 102262971
2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 142356851
3-[4-[9,9-dimethyl-7-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole;3-[4-[9,9-dimethyl-7-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole;3-[4-[9,9-dimethyl-7-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole;3-[4-[9,9-dimethyl-7-[4-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole;9-phenyl-3-[4-[(E)-2-phenyl-2-[4-[7-[7-(9-phenylcarbazol-3-yl)-9H-fluoren-2-yl]-9H-fluoren-2-yl]phenyl]ethenyl]phenyl]carbazole
CID 158413156
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-N-[4-[4-(3-methylcarbazol-9-yl)phenyl]phenyl]aniline;9-ethyl-3-(9-ethylcarbazol-3-yl)-6-methylcarbazole
CID 123521263

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;bis(5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole);N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline?
The IUPAC name of 3-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;bis(5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole);N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline (CID 160871825) is 3-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;bis(5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole);N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline.
What is the SMILES notation for 3-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;bis(5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole);N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline?
The canonical SMILES for 3-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;bis(5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole);N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline is CCn1c2ccccc2c2cc(/C=C/c3cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)c3)ccc21.Cc1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1.c1ccc2c(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc4ccccc34)cccc2c1.c1ccc2c(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc4ccccc34)cccc2c1.c1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 3-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;bis(5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole);N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline?
The InChIKey is SLVYZXQKIMLXTI-SJXHMLRSSA-N. The full InChI is InChI=1S/C66H52N2.C54H36N4.C54H45N3.2C38H24N2/c1-49-23-35-59(36-24-49)67(61-39-27-51(28-40-61)47-65(55-15-7-3-8-16-55)56-17-9-4-10-18-56)63-43-31-53(32-44-63)54-33-45-64(46-34-54)68(60-37-25-50(2)26-38-60)62-41-29-52(30-42-62)48-66(57-19-11-5-12-20-57)58-21-13-6-14-22-58;1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58;1-4-55-49-16-10-7-13-43(49)46-34-37(25-28-52(46)55)19-22-40-31-41(23-20-38-26-29-53-47(35-38)44-14-8-11-17-50(44)56(53)5-2)33-42(32-40)24-21-39-27-30-54-48(36-39)45-15-9-12-18-51(45)57(54)6-3;2*1-3-15-27-25(11-1)13-9-21-33(27)39-35-19-7-5-17-29(35)31-24-38-32(23-37(31)39)30-18-6-8-20-36(30)40(38)34-22-10-14-26-12-2-4-16-28(26)34/h3-48H,1-2H3;1-36H;7-36H,4-6H2,1-3H3;2*1-24H/b;;22-19+,23-20+,24-21+;;.
What are the key properties of 3-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;bis(5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole);N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline?
3-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;bis(5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole);N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline has a molecular weight of 3367.29 g/mol, XLogP of 67.49, 32 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;bis(5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole);N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline is sourced from PubChem (CID 160871825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).