2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole

C180H114N10S2 — CID 158637299

IUPAC2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc7sc8ccccc8c7c6)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc7c6sc6ccccc67)c5c4)ccc32)cc1
InChIInChI=1S/2C48H31N3.2C42H26N2S/c1-3-13-34(14-4-1)49-44-21-11-8-18-38(44)41-29-32(24-27-46(41)49)33-23-26-40-37-17-7-10-20-43(37)51(48(40)30-33)36-25-28-47-42(31-36)39-19-9-12-22-45(39)50(47)35-15-5-2-6-16-35;1-2-12-34(13-3-1)49-46-21-11-7-17-40(46)42-30-32(23-29-47(42)49)33-22-28-41-39-16-6-10-20-45(39)51(48(41)31-33)36-26-24-35(25-27-36)50-43-18-8-4-14-37(43)38-15-5-9-19-44(38)50;1-2-11-29(12-3-1)43-36-17-7-5-14-31(36)35-25-27(22-24-38(35)43)28-21-23-32-30-13-4-8-18-37(30)44(40(32)26-28)39-19-10-16-34-33-15-6-9-20-41(33)45-42(34)39;1-2-10-29(11-3-1)43-38-16-8-5-13-32(38)35-24-27(19-22-39(35)43)28-18-21-33-31-12-4-7-15-37(31)44(40(33)25-28)30-20-23-42-36(26-30)34-14-6-9-17-41(34)45-42/h2*1-31H;2*1-26H
InChIKeyHZXVJIFDAWEHRY-UHFFFAOYSA-N
MW2481.10 g/mol
LogP49.12
Rot. Bonds14

About 2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole

2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole (PubChem CID 158637299) has the molecular formula C180H114N10S2 and a molecular weight of 2481.10 g/mol. Its IUPAC name is 2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
PubChem CID158637299
Molecular FormulaC180H114N10S2
Molecular Weight2481.10 g/mol
Exact Mass2478.87
IUPAC Name2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc7sc8ccccc8c7c6)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc7c6sc6ccccc67)c5c4)ccc32)cc1
InChIInChI=1S/2C48H31N3.2C42H26N2S/c1-3-13-34(14-4-1)49-44-21-11-8-18-38(44)41-29-32(24-27-46(41)49)33-23-26-40-37-17-7-10-20-43(37)51(48(40)30-33)36-25-28-47-42(31-36)39-19-9-12-22-45(39)50(47)35-15-5-2-6-16-35;1-2-12-34(13-3-1)49-46-21-11-7-17-40(46)42-30-32(23-29-47(42)49)33-22-28-41-39-16-6-10-20-45(39)51(48(41)31-33)36-26-24-35(25-27-36)50-43-18-8-4-14-37(43)38-15-5-9-19-44(38)50;1-2-11-29(12-3-1)43-36-17-7-5-14-31(36)35-25-27(22-24-38(35)43)28-21-23-32-30-13-4-8-18-37(30)44(40(32)26-28)39-19-10-16-34-33-15-6-9-20-41(33)45-42(34)39;1-2-10-29(11-3-1)43-38-16-8-5-13-32(38)35-24-27(19-22-39(35)43)28-18-21-33-31-12-4-7-15-37(31)44(40(33)25-28)30-20-23-42-36(26-30)34-14-6-9-17-41(34)45-42/h2*1-31H;2*1-26H
InChIKeyHZXVJIFDAWEHRY-UHFFFAOYSA-N
XLogP49.12
TPSA49.30 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002481.10
LogP ≤ 549.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole with MolForge

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Related Compounds

3,9-bis(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 159421498
3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946
3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-4-ylcarbazole;3,6-di(carbazol-9-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole
CID 159252126
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole
CID 88878120
3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole
CID 118349988
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole
CID 159490163
5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 167243841
9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 147466855
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole
CID 170072587
9-dibenzofuran-4-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-2-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-4-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-phenyl-3-[3-(3-triphenylen-2-ylphenyl)carbazol-9-yl]carbazole
CID 158857501

Frequently Asked Questions

What is the IUPAC name of 2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole?
The IUPAC name of 2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole (CID 158637299) is 2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole?
The canonical SMILES for 2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc7sc8ccccc8c7c6)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc7c6sc6ccccc67)c5c4)ccc32)cc1.
What is the InChIKey of 2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole?
The InChIKey is HZXVJIFDAWEHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H31N3.2C42H26N2S/c1-3-13-34(14-4-1)49-44-21-11-8-18-38(44)41-29-32(24-27-46(41)49)33-23-26-40-37-17-7-10-20-43(37)51(48(40)30-33)36-25-28-47-42(31-36)39-19-9-12-22-45(39)50(47)35-15-5-2-6-16-35;1-2-12-34(13-3-1)49-46-21-11-7-17-40(46)42-30-32(23-29-47(42)49)33-22-28-41-39-16-6-10-20-45(39)51(48(41)31-33)36-26-24-35(25-27-36)50-43-18-8-4-14-37(43)38-15-5-9-19-44(38)50;1-2-11-29(12-3-1)43-36-17-7-5-14-31(36)35-25-27(22-24-38(35)43)28-21-23-32-30-13-4-8-18-37(30)44(40(32)26-28)39-19-10-16-34-33-15-6-9-20-41(33)45-42(34)39;1-2-10-29(11-3-1)43-38-16-8-5-13-32(38)35-24-27(19-22-39(35)43)28-18-21-33-31-12-4-7-15-37(31)44(40(33)25-28)30-20-23-42-36(26-30)34-14-6-9-17-41(34)45-42/h2*1-31H;2*1-26H.
What are the key properties of 2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole?
2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole has a molecular weight of 2481.10 g/mol, XLogP of 49.12, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 158637299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).