3-[9-[3-(1-benzothiophen-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-butan-2-ylphenyl)carbazol-3-yl]-9-fluoranthen-3-ylcarbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-fluorophenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-hexylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-[4-(trifluoromethyl)phenyl]carbazole

C239H158F4N10S — CID 161359881

IUPAC3-[9-[3-(1-benzothiophen-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-butan-2-ylphenyl)carbazol-3-yl]-9-fluoranthen-3-ylcarbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-fluorophenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-hexylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-[4-(trifluoromethyl)phenyl]carbazole
SMILESCCC(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc32)cc1.CCCCCCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc32)cc1.FC(F)(F)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc32)cc1.Fc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5csc6ccccc56)c4)ccc32)cc1
InChIInChI=1S/C52H40N2.C50H36N2.C47H27F3N2.C46H27FN2.C44H28N2S/c1-2-3-4-5-13-34-22-26-37(27-23-34)53-47-20-10-8-16-40(47)45-32-35(24-29-50(45)53)36-25-30-51-46(33-36)41-17-9-11-21-48(41)54(51)49-31-28-43-39-15-7-6-14-38(39)42-18-12-19-44(49)52(42)43;1-3-31(2)32-19-23-35(24-20-32)51-45-17-8-6-13-38(45)43-29-33(21-26-48(43)51)34-22-27-49-44(30-34)39-14-7-9-18-46(39)52(49)47-28-25-41-37-12-5-4-11-36(37)40-15-10-16-42(47)50(40)41;48-47(49,50)30-18-20-31(21-19-30)51-41-14-5-3-10-34(41)39-26-28(16-23-44(39)51)29-17-24-45-40(27-29)35-11-4-6-15-42(35)52(45)43-25-22-37-33-9-2-1-8-32(33)36-12-7-13-38(43)46(36)37;47-30-18-20-31(21-19-30)48-41-14-5-3-10-34(41)39-26-28(16-23-44(39)48)29-17-24-45-40(27-29)35-11-4-6-15-42(35)49(45)43-25-22-37-33-9-2-1-8-32(33)36-12-7-13-38(43)46(36)37;1-2-12-32(13-3-1)45-40-18-7-4-15-34(40)37-26-29(21-23-42(37)45)30-22-24-43-38(27-30)35-16-5-8-19-41(35)46(43)33-14-10-11-31(25-33)39-28-47-44-20-9-6-17-36(39)44/h6-12,14-33H,2-5,13H2,1H3;4-31H,3H2,1-2H3;1-27H;1-27H;1-28H
InChIKeyVPAOIUQQDZFBPH-UHFFFAOYSA-N
MW3278.02 g/mol
LogP66.62
Rot. Bonds23

About 3-[9-[3-(1-benzothiophen-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-butan-2-ylphenyl)carbazol-3-yl]-9-fluoranthen-3-ylcarbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-fluorophenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-hexylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-[4-(trifluoromethyl)phenyl]carbazole

3-[9-[3-(1-benzothiophen-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-butan-2-ylphenyl)carbazol-3-yl]-9-fluoranthen-3-ylcarbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-fluorophenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-hexylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-[4-(trifluoromethyl)phenyl]carbazole (PubChem CID 161359881) has the molecular formula C239H158F4N10S and a molecular weight of 3278.02 g/mol. Its IUPAC name is 3-[9-[3-(1-benzothiophen-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-butan-2-ylphenyl)carbazol-3-yl]-9-fluoranthen-3-ylcarbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-fluorophenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-hexylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-[4-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name3-[9-[3-(1-benzothiophen-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-butan-2-ylphenyl)carbazol-3-yl]-9-fluoranthen-3-ylcarbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-fluorophenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-hexylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-[4-(trifluoromethyl)phenyl]carbazole
PubChem CID161359881
Molecular FormulaC239H158F4N10S
Molecular Weight3278.02 g/mol
Exact Mass3275.23
IUPAC Name3-[9-[3-(1-benzothiophen-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-butan-2-ylphenyl)carbazol-3-yl]-9-fluoranthen-3-ylcarbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-fluorophenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-hexylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-[4-(trifluoromethyl)phenyl]carbazole
SMILESCCC(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc32)cc1.CCCCCCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc32)cc1.FC(F)(F)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc32)cc1.Fc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5csc6ccccc56)c4)ccc32)cc1
InChIInChI=1S/C52H40N2.C50H36N2.C47H27F3N2.C46H27FN2.C44H28N2S/c1-2-3-4-5-13-34-22-26-37(27-23-34)53-47-20-10-8-16-40(47)45-32-35(24-29-50(45)53)36-25-30-51-46(33-36)41-17-9-11-21-48(41)54(51)49-31-28-43-39-15-7-6-14-38(39)42-18-12-19-44(49)52(42)43;1-3-31(2)32-19-23-35(24-20-32)51-45-17-8-6-13-38(45)43-29-33(21-26-48(43)51)34-22-27-49-44(30-34)39-14-7-9-18-46(39)52(49)47-28-25-41-37-12-5-4-11-36(37)40-15-10-16-42(47)50(40)41;48-47(49,50)30-18-20-31(21-19-30)51-41-14-5-3-10-34(41)39-26-28(16-23-44(39)51)29-17-24-45-40(27-29)35-11-4-6-15-42(35)52(45)43-25-22-37-33-9-2-1-8-32(33)36-12-7-13-38(43)46(36)37;47-30-18-20-31(21-19-30)48-41-14-5-3-10-34(41)39-26-28(16-23-44(39)48)29-17-24-45-40(27-29)35-11-4-6-15-42(35)49(45)43-25-22-37-33-9-2-1-8-32(33)36-12-7-13-38(43)46(36)37;1-2-12-32(13-3-1)45-40-18-7-4-15-34(40)37-26-29(21-23-42(37)45)30-22-24-43-38(27-30)35-16-5-8-19-41(35)46(43)33-14-10-11-31(25-33)39-28-47-44-20-9-6-17-36(39)44/h6-12,14-33H,2-5,13H2,1H3;4-31H,3H2,1-2H3;1-27H;1-27H;1-28H
InChIKeyVPAOIUQQDZFBPH-UHFFFAOYSA-N
XLogP66.62
TPSA49.30 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds23
Heavy Atoms254
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003278.02
LogP ≤ 566.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 3-[9-[3-(1-benzothiophen-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-butan-2-ylphenyl)carbazol-3-yl]-9-fluoranthen-3-ylcarbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-fluorophenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-hexylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-[4-(trifluoromethyl)phenyl]carbazole with MolForge

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Related Compounds

[4-[3-(9-fluoranthen-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-methylsilane;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(4-hexylphenyl)carbazole
CID 162077341
3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 71291323
2-(7-fluoranthen-3-ylbenzo[c]carbazol-10-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole;5-fluoranthen-3-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;5-(3-fluoranthen-3-ylphenyl)-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-(3-fluoranthen-3-ylphenyl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 161437853
N-(4-butan-2-ylphenyl)-N-[4-[2-[9-(4-hexylphenyl)carbazol-2-yl]-4-methylphenyl]phenyl]-4-methylaniline
CID 164803658
9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 163903365
3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 71291329
3-(6-butan-2-yl-9H-fluoren-3-yl)-9-phenylcarbazole;3-(6-tert-butyl-9H-fluoren-3-yl)-9-phenylcarbazole;9-(2-butylphenyl)-3-(9H-fluoren-3-yl)carbazole;9-(3-ethylphenyl)-3-(9H-fluoren-3-yl)carbazole
CID 158353190
2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 159351866
3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159993956
3-[9-[8-(3,5-dimethylphenyl)fluoranthen-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 71291322
2-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;10-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-7-phenylbenzo[c]carbazole;9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159571919
3,6-bis[9-(2-propan-2-ylphenyl)carbazol-3-yl]-9H-carbazole;3,6-bis[9-(4-propan-2-ylphenyl)carbazol-3-yl]-9H-carbazole;4-(9H-carbazol-3-yl)-N,N-diphenylaniline;N,N-diphenyl-4-(6-phenyl-9H-carbazol-3-yl)aniline;N,N-diphenyl-4-[6-(2-phenylphenyl)-9H-carbazol-3-yl]aniline;3-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]-6-[6-[6-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazol-3-yl]carbazole
CID 158108669

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-(1-benzothiophen-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-butan-2-ylphenyl)carbazol-3-yl]-9-fluoranthen-3-ylcarbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-fluorophenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-hexylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-[4-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 3-[9-[3-(1-benzothiophen-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-butan-2-ylphenyl)carbazol-3-yl]-9-fluoranthen-3-ylcarbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-fluorophenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-hexylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-[4-(trifluoromethyl)phenyl]carbazole (CID 161359881) is 3-[9-[3-(1-benzothiophen-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-butan-2-ylphenyl)carbazol-3-yl]-9-fluoranthen-3-ylcarbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-fluorophenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-hexylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-[4-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 3-[9-[3-(1-benzothiophen-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-butan-2-ylphenyl)carbazol-3-yl]-9-fluoranthen-3-ylcarbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-fluorophenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-hexylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-[4-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 3-[9-[3-(1-benzothiophen-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-butan-2-ylphenyl)carbazol-3-yl]-9-fluoranthen-3-ylcarbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-fluorophenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-hexylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-[4-(trifluoromethyl)phenyl]carbazole is CCC(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc32)cc1.CCCCCCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc32)cc1.FC(F)(F)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc32)cc1.Fc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5csc6ccccc56)c4)ccc32)cc1.
What is the InChIKey of 3-[9-[3-(1-benzothiophen-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-butan-2-ylphenyl)carbazol-3-yl]-9-fluoranthen-3-ylcarbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-fluorophenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-hexylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-[4-(trifluoromethyl)phenyl]carbazole?
The InChIKey is VPAOIUQQDZFBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N2.C50H36N2.C47H27F3N2.C46H27FN2.C44H28N2S/c1-2-3-4-5-13-34-22-26-37(27-23-34)53-47-20-10-8-16-40(47)45-32-35(24-29-50(45)53)36-25-30-51-46(33-36)41-17-9-11-21-48(41)54(51)49-31-28-43-39-15-7-6-14-38(39)42-18-12-19-44(49)52(42)43;1-3-31(2)32-19-23-35(24-20-32)51-45-17-8-6-13-38(45)43-29-33(21-26-48(43)51)34-22-27-49-44(30-34)39-14-7-9-18-46(39)52(49)47-28-25-41-37-12-5-4-11-36(37)40-15-10-16-42(47)50(40)41;48-47(49,50)30-18-20-31(21-19-30)51-41-14-5-3-10-34(41)39-26-28(16-23-44(39)51)29-17-24-45-40(27-29)35-11-4-6-15-42(35)52(45)43-25-22-37-33-9-2-1-8-32(33)36-12-7-13-38(43)46(36)37;47-30-18-20-31(21-19-30)48-41-14-5-3-10-34(41)39-26-28(16-23-44(39)48)29-17-24-45-40(27-29)35-11-4-6-15-42(35)49(45)43-25-22-37-33-9-2-1-8-32(33)36-12-7-13-38(43)46(36)37;1-2-12-32(13-3-1)45-40-18-7-4-15-34(40)37-26-29(21-23-42(37)45)30-22-24-43-38(27-30)35-16-5-8-19-41(35)46(43)33-14-10-11-31(25-33)39-28-47-44-20-9-6-17-36(39)44/h6-12,14-33H,2-5,13H2,1H3;4-31H,3H2,1-2H3;1-27H;1-27H;1-28H.
What are the key properties of 3-[9-[3-(1-benzothiophen-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-butan-2-ylphenyl)carbazol-3-yl]-9-fluoranthen-3-ylcarbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-fluorophenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-hexylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-[4-(trifluoromethyl)phenyl]carbazole?
3-[9-[3-(1-benzothiophen-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-butan-2-ylphenyl)carbazol-3-yl]-9-fluoranthen-3-ylcarbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-fluorophenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-hexylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-[4-(trifluoromethyl)phenyl]carbazole has a molecular weight of 3278.02 g/mol, XLogP of 66.62, 23 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[3-(1-benzothiophen-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-butan-2-ylphenyl)carbazol-3-yl]-9-fluoranthen-3-ylcarbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-fluorophenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-hexylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-[4-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 161359881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).