9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)

C180H116N4S4 — CID 167639510

IUPAC9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccc(-c4cccc5sc6ccccc6c45)cc3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccc(-c4cccc5sc6ccccc6c45)cc3)cc2)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4ccc(-c5ccc(-c6cccc7sc8ccccc8c67)cc5)cc4)c3c2)cc1.c1ccc2c(c1)sc1cccc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c12
InChIInChI=1S/3C48H31NS.C36H23NS/c1-3-10-32(11-4-1)37-24-28-41-42-29-25-38(33-12-5-2-6-13-33)31-45(42)49(44(41)30-37)39-26-22-35(23-27-39)34-18-20-36(21-19-34)40-15-9-17-47-48(40)43-14-7-8-16-46(43)50-47;2*1-3-10-32(11-4-1)37-24-28-44-42(30-37)43-31-38(33-12-5-2-6-13-33)25-29-45(43)49(44)39-26-22-35(23-27-39)34-18-20-36(21-19-34)40-15-9-17-47-48(40)41-14-7-8-16-46(41)50-47;1-4-12-32-29(8-1)30-9-2-5-13-33(30)37(32)27-22-20-25(21-23-27)24-16-18-26(19-17-24)28-11-7-15-35-36(28)31-10-3-6-14-34(31)38-35/h3*1-31H;1-23H
InChIKeyOYTPKVSGYXOPMY-UHFFFAOYSA-N
MW2463.20 g/mol
LogP51.94
Rot. Bonds18

About 9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)

9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole) (PubChem CID 167639510) has the molecular formula C180H116N4S4 and a molecular weight of 2463.20 g/mol. Its IUPAC name is 9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole).

Molecular Properties

Compound Name9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)
PubChem CID167639510
Molecular FormulaC180H116N4S4
Molecular Weight2463.20 g/mol
Exact Mass2460.81
IUPAC Name9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccc(-c4cccc5sc6ccccc6c45)cc3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccc(-c4cccc5sc6ccccc6c45)cc3)cc2)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4ccc(-c5ccc(-c6cccc7sc8ccccc8c67)cc5)cc4)c3c2)cc1.c1ccc2c(c1)sc1cccc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c12
InChIInChI=1S/3C48H31NS.C36H23NS/c1-3-10-32(11-4-1)37-24-28-41-42-29-25-38(33-12-5-2-6-13-33)31-45(42)49(44(41)30-37)39-26-22-35(23-27-39)34-18-20-36(21-19-34)40-15-9-17-47-48(40)43-14-7-8-16-46(43)50-47;2*1-3-10-32(11-4-1)37-24-28-44-42(30-37)43-31-38(33-12-5-2-6-13-33)25-29-45(43)49(44)39-26-22-35(23-27-39)34-18-20-36(21-19-34)40-15-9-17-47-48(40)41-14-7-8-16-46(41)50-47;1-4-12-32-29(8-1)30-9-2-5-13-33(30)37(32)27-22-20-25(21-23-27)24-16-18-26(19-17-24)28-11-7-15-35-36(28)31-10-3-6-14-34(31)38-35/h3*1-31H;1-23H
InChIKeyOYTPKVSGYXOPMY-UHFFFAOYSA-N
XLogP51.94
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms188
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002463.20
LogP ≤ 551.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole) with MolForge

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 177077251
2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 166510060
9-dibenzothiophen-3-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072881
2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510069
9-(4-dibenzothiophen-1-ylphenyl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166961071
2-[9-[4-[4-[6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole
CID 170265361
9-dibenzothiophen-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072885
3-dibenzothiophen-1-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118449069
3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174245078
14-[4-[4-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167193582
9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
CID 166037348
3-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-3-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 177077367

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)?
The IUPAC name of 9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole) (CID 167639510) is 9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole).
What is the SMILES notation for 9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)?
The canonical SMILES for 9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole) is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccc(-c4cccc5sc6ccccc6c45)cc3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccc(-c4cccc5sc6ccccc6c45)cc3)cc2)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4ccc(-c5ccc(-c6cccc7sc8ccccc8c67)cc5)cc4)c3c2)cc1.c1ccc2c(c1)sc1cccc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c12.
What is the InChIKey of 9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)?
The InChIKey is OYTPKVSGYXOPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C48H31NS.C36H23NS/c1-3-10-32(11-4-1)37-24-28-41-42-29-25-38(33-12-5-2-6-13-33)31-45(42)49(44(41)30-37)39-26-22-35(23-27-39)34-18-20-36(21-19-34)40-15-9-17-47-48(40)43-14-7-8-16-46(43)50-47;2*1-3-10-32(11-4-1)37-24-28-44-42(30-37)43-31-38(33-12-5-2-6-13-33)25-29-45(43)49(44)39-26-22-35(23-27-39)34-18-20-36(21-19-34)40-15-9-17-47-48(40)41-14-7-8-16-46(41)50-47;1-4-12-32-29(8-1)30-9-2-5-13-33(30)37(32)27-22-20-25(21-23-27)24-16-18-26(19-17-24)28-11-7-15-35-36(28)31-10-3-6-14-34(31)38-35/h3*1-31H;1-23H.
What are the key properties of 9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)?
9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole) has a molecular weight of 2463.20 g/mol, XLogP of 51.94, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole) is sourced from PubChem (CID 167639510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).