3-anthracen-9-yl-9-dibenzothiophen-3-ylcarbazole;3-(4-butylphenyl)-9-dibenzothiophen-3-yl-6-phenylcarbazole;9-dibenzothiophen-3-yl-3,6-diphenylcarbazole;9-dibenzothiophen-3-yl-3-naphthalen-1-ylcarbazole;9-dibenzothiophen-3-yl-3-(3-phenylphenyl)carbazole

C184H121N5S5 — CID 157330841

IUPAC3-anthracen-9-yl-9-dibenzothiophen-3-ylcarbazole;3-(4-butylphenyl)-9-dibenzothiophen-3-yl-6-phenylcarbazole;9-dibenzothiophen-3-yl-3,6-diphenylcarbazole;9-dibenzothiophen-3-yl-3-naphthalen-1-ylcarbazole;9-dibenzothiophen-3-yl-3-(3-phenylphenyl)carbazole
SMILESCCCCc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)sc2ccccc23)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)sc2ccccc23)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)sc3ccccc34)c2)cc1.c1ccc2c(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)sc3ccccc34)c3ccccc3cc2c1.c1ccc2c(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)sc3ccccc34)cccc2c1
InChIInChI=1S/C40H31NS.C38H23NS.2C36H23NS.C34H21NS/c1-2-3-9-27-14-16-29(17-15-27)31-19-23-38-36(25-31)35-24-30(28-10-5-4-6-11-28)18-22-37(35)41(38)32-20-21-34-33-12-7-8-13-39(33)42-40(34)26-32;1-3-11-28-24(9-1)21-25-10-2-4-12-29(25)38(28)26-17-20-35-33(22-26)30-13-5-7-15-34(30)39(35)27-18-19-32-31-14-6-8-16-36(31)40-37(32)23-27;1-3-9-24(10-4-1)26-15-19-33-31(21-26)32-22-27(25-11-5-2-6-12-25)16-20-34(32)37(33)28-17-18-30-29-13-7-8-14-35(29)38-36(30)23-28;1-2-9-24(10-3-1)25-11-8-12-26(21-25)27-17-20-34-32(22-27)29-13-4-6-15-33(29)37(34)28-18-19-31-30-14-5-7-16-35(30)38-36(31)23-28;1-2-10-25-22(8-1)9-7-13-26(25)23-16-19-32-30(20-23)27-11-3-5-14-31(27)35(32)24-17-18-29-28-12-4-6-15-33(28)36-34(29)21-24/h4-8,10-26H,2-3,9H2,1H3;1-23H;2*1-23H;1-21H
InChIKeyBFGRWHKKWOVZIU-UHFFFAOYSA-N
MW2562.36 g/mol
LogP53.90
Rot. Bonds16

About 3-anthracen-9-yl-9-dibenzothiophen-3-ylcarbazole;3-(4-butylphenyl)-9-dibenzothiophen-3-yl-6-phenylcarbazole;9-dibenzothiophen-3-yl-3,6-diphenylcarbazole;9-dibenzothiophen-3-yl-3-naphthalen-1-ylcarbazole;9-dibenzothiophen-3-yl-3-(3-phenylphenyl)carbazole

3-anthracen-9-yl-9-dibenzothiophen-3-ylcarbazole;3-(4-butylphenyl)-9-dibenzothiophen-3-yl-6-phenylcarbazole;9-dibenzothiophen-3-yl-3,6-diphenylcarbazole;9-dibenzothiophen-3-yl-3-naphthalen-1-ylcarbazole;9-dibenzothiophen-3-yl-3-(3-phenylphenyl)carbazole (PubChem CID 157330841) has the molecular formula C184H121N5S5 and a molecular weight of 2562.36 g/mol. Its IUPAC name is 3-anthracen-9-yl-9-dibenzothiophen-3-ylcarbazole;3-(4-butylphenyl)-9-dibenzothiophen-3-yl-6-phenylcarbazole;9-dibenzothiophen-3-yl-3,6-diphenylcarbazole;9-dibenzothiophen-3-yl-3-naphthalen-1-ylcarbazole;9-dibenzothiophen-3-yl-3-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-anthracen-9-yl-9-dibenzothiophen-3-ylcarbazole;3-(4-butylphenyl)-9-dibenzothiophen-3-yl-6-phenylcarbazole;9-dibenzothiophen-3-yl-3,6-diphenylcarbazole;9-dibenzothiophen-3-yl-3-naphthalen-1-ylcarbazole;9-dibenzothiophen-3-yl-3-(3-phenylphenyl)carbazole
PubChem CID157330841
Molecular FormulaC184H121N5S5
Molecular Weight2562.36 g/mol
Exact Mass2559.82
IUPAC Name3-anthracen-9-yl-9-dibenzothiophen-3-ylcarbazole;3-(4-butylphenyl)-9-dibenzothiophen-3-yl-6-phenylcarbazole;9-dibenzothiophen-3-yl-3,6-diphenylcarbazole;9-dibenzothiophen-3-yl-3-naphthalen-1-ylcarbazole;9-dibenzothiophen-3-yl-3-(3-phenylphenyl)carbazole
SMILESCCCCc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)sc2ccccc23)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)sc2ccccc23)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)sc3ccccc34)c2)cc1.c1ccc2c(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)sc3ccccc34)c3ccccc3cc2c1.c1ccc2c(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)sc3ccccc34)cccc2c1
InChIInChI=1S/C40H31NS.C38H23NS.2C36H23NS.C34H21NS/c1-2-3-9-27-14-16-29(17-15-27)31-19-23-38-36(25-31)35-24-30(28-10-5-4-6-11-28)18-22-37(35)41(38)32-20-21-34-33-12-7-8-13-39(33)42-40(34)26-32;1-3-11-28-24(9-1)21-25-10-2-4-12-29(25)38(28)26-17-20-35-33(22-26)30-13-5-7-15-34(30)39(35)27-18-19-32-31-14-6-8-16-36(31)40-37(32)23-27;1-3-9-24(10-4-1)26-15-19-33-31(21-26)32-22-27(25-11-5-2-6-12-25)16-20-34(32)37(33)28-17-18-30-29-13-7-8-14-35(29)38-36(30)23-28;1-2-9-24(10-3-1)25-11-8-12-26(21-25)27-17-20-34-32(22-27)29-13-4-6-15-33(29)37(34)28-18-19-31-30-14-5-7-16-35(30)38-36(31)23-28;1-2-10-25-22(8-1)9-7-13-26(25)23-16-19-32-30(20-23)27-11-3-5-14-31(27)35(32)24-17-18-29-28-12-4-6-15-33(28)36-34(29)21-24/h4-8,10-26H,2-3,9H2,1H3;1-23H;2*1-23H;1-21H
InChIKeyBFGRWHKKWOVZIU-UHFFFAOYSA-N
XLogP53.90
TPSA24.65 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms194
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002562.36
LogP ≤ 553.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-anthracen-9-yl-9-dibenzothiophen-3-ylcarbazole;3-(4-butylphenyl)-9-dibenzothiophen-3-yl-6-phenylcarbazole;9-dibenzothiophen-3-yl-3,6-diphenylcarbazole;9-dibenzothiophen-3-yl-3-naphthalen-1-ylcarbazole;9-dibenzothiophen-3-yl-3-(3-phenylphenyl)carbazole with MolForge

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Related Compounds

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CID 159816780
9-dibenzothiophen-3-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
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N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline
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3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
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3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 58084668
9-(4-anthracen-9-ylphenyl)-3-dibenzothiophen-4-ylcarbazole
CID 87156422
ethane;9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole;9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]carbazole;2-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 157391969

Frequently Asked Questions

What is the IUPAC name of 3-anthracen-9-yl-9-dibenzothiophen-3-ylcarbazole;3-(4-butylphenyl)-9-dibenzothiophen-3-yl-6-phenylcarbazole;9-dibenzothiophen-3-yl-3,6-diphenylcarbazole;9-dibenzothiophen-3-yl-3-naphthalen-1-ylcarbazole;9-dibenzothiophen-3-yl-3-(3-phenylphenyl)carbazole?
The IUPAC name of 3-anthracen-9-yl-9-dibenzothiophen-3-ylcarbazole;3-(4-butylphenyl)-9-dibenzothiophen-3-yl-6-phenylcarbazole;9-dibenzothiophen-3-yl-3,6-diphenylcarbazole;9-dibenzothiophen-3-yl-3-naphthalen-1-ylcarbazole;9-dibenzothiophen-3-yl-3-(3-phenylphenyl)carbazole (CID 157330841) is 3-anthracen-9-yl-9-dibenzothiophen-3-ylcarbazole;3-(4-butylphenyl)-9-dibenzothiophen-3-yl-6-phenylcarbazole;9-dibenzothiophen-3-yl-3,6-diphenylcarbazole;9-dibenzothiophen-3-yl-3-naphthalen-1-ylcarbazole;9-dibenzothiophen-3-yl-3-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-anthracen-9-yl-9-dibenzothiophen-3-ylcarbazole;3-(4-butylphenyl)-9-dibenzothiophen-3-yl-6-phenylcarbazole;9-dibenzothiophen-3-yl-3,6-diphenylcarbazole;9-dibenzothiophen-3-yl-3-naphthalen-1-ylcarbazole;9-dibenzothiophen-3-yl-3-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-anthracen-9-yl-9-dibenzothiophen-3-ylcarbazole;3-(4-butylphenyl)-9-dibenzothiophen-3-yl-6-phenylcarbazole;9-dibenzothiophen-3-yl-3,6-diphenylcarbazole;9-dibenzothiophen-3-yl-3-naphthalen-1-ylcarbazole;9-dibenzothiophen-3-yl-3-(3-phenylphenyl)carbazole is CCCCc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)sc2ccccc23)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)sc2ccccc23)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)sc3ccccc34)c2)cc1.c1ccc2c(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)sc3ccccc34)c3ccccc3cc2c1.c1ccc2c(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)sc3ccccc34)cccc2c1.
What is the InChIKey of 3-anthracen-9-yl-9-dibenzothiophen-3-ylcarbazole;3-(4-butylphenyl)-9-dibenzothiophen-3-yl-6-phenylcarbazole;9-dibenzothiophen-3-yl-3,6-diphenylcarbazole;9-dibenzothiophen-3-yl-3-naphthalen-1-ylcarbazole;9-dibenzothiophen-3-yl-3-(3-phenylphenyl)carbazole?
The InChIKey is BFGRWHKKWOVZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31NS.C38H23NS.2C36H23NS.C34H21NS/c1-2-3-9-27-14-16-29(17-15-27)31-19-23-38-36(25-31)35-24-30(28-10-5-4-6-11-28)18-22-37(35)41(38)32-20-21-34-33-12-7-8-13-39(33)42-40(34)26-32;1-3-11-28-24(9-1)21-25-10-2-4-12-29(25)38(28)26-17-20-35-33(22-26)30-13-5-7-15-34(30)39(35)27-18-19-32-31-14-6-8-16-36(31)40-37(32)23-27;1-3-9-24(10-4-1)26-15-19-33-31(21-26)32-22-27(25-11-5-2-6-12-25)16-20-34(32)37(33)28-17-18-30-29-13-7-8-14-35(29)38-36(30)23-28;1-2-9-24(10-3-1)25-11-8-12-26(21-25)27-17-20-34-32(22-27)29-13-4-6-15-33(29)37(34)28-18-19-31-30-14-5-7-16-35(30)38-36(31)23-28;1-2-10-25-22(8-1)9-7-13-26(25)23-16-19-32-30(20-23)27-11-3-5-14-31(27)35(32)24-17-18-29-28-12-4-6-15-33(28)36-34(29)21-24/h4-8,10-26H,2-3,9H2,1H3;1-23H;2*1-23H;1-21H.
What are the key properties of 3-anthracen-9-yl-9-dibenzothiophen-3-ylcarbazole;3-(4-butylphenyl)-9-dibenzothiophen-3-yl-6-phenylcarbazole;9-dibenzothiophen-3-yl-3,6-diphenylcarbazole;9-dibenzothiophen-3-yl-3-naphthalen-1-ylcarbazole;9-dibenzothiophen-3-yl-3-(3-phenylphenyl)carbazole?
3-anthracen-9-yl-9-dibenzothiophen-3-ylcarbazole;3-(4-butylphenyl)-9-dibenzothiophen-3-yl-6-phenylcarbazole;9-dibenzothiophen-3-yl-3,6-diphenylcarbazole;9-dibenzothiophen-3-yl-3-naphthalen-1-ylcarbazole;9-dibenzothiophen-3-yl-3-(3-phenylphenyl)carbazole has a molecular weight of 2562.36 g/mol, XLogP of 53.90, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anthracen-9-yl-9-dibenzothiophen-3-ylcarbazole;3-(4-butylphenyl)-9-dibenzothiophen-3-yl-6-phenylcarbazole;9-dibenzothiophen-3-yl-3,6-diphenylcarbazole;9-dibenzothiophen-3-yl-3-naphthalen-1-ylcarbazole;9-dibenzothiophen-3-yl-3-(3-phenylphenyl)carbazole is sourced from PubChem (CID 157330841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).