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

C150H91N9S3 — CID 159252126

IUPAC3,6-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
SMILESc1ccc(-c2ccc3sc4ccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c3c2)cc1.c1ccc2c(c1)sc1c(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cccc12.c1ccc2c(c1)sc1ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc12
InChIInChI=1S/C54H33N3S.2C48H29N3S/c1-2-12-34(13-3-1)35-22-28-53-45(30-35)46-33-38(25-29-54(46)58-53)57-51-26-23-36(55-47-18-8-4-14-39(47)40-15-5-9-19-48(40)55)31-43(51)44-32-37(24-27-52(44)57)56-49-20-10-6-16-41(49)42-17-7-11-21-50(42)56;1-6-18-40-32(12-1)33-13-2-7-19-41(33)49(40)30-24-26-44-38(28-30)39-29-31(50-42-20-8-3-14-34(42)35-15-4-9-21-43(35)50)25-27-45(39)51(44)46-22-11-17-37-36-16-5-10-23-47(36)52-48(37)46;1-6-16-41-33(11-1)34-12-2-7-17-42(34)49(41)30-21-24-45-38(27-30)39-28-31(50-43-18-8-3-13-35(43)36-14-4-9-19-44(36)50)22-25-46(39)51(45)32-23-26-48-40(29-32)37-15-5-10-20-47(37)52-48/h1-33H;2*1-29H
InChIKeyKVKUMZXFCIJLCI-UHFFFAOYSA-N
MW2115.64 g/mol
LogP41.70
Rot. Bonds10

About 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

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 (PubChem CID 159252126) has the molecular formula C150H91N9S3 and a molecular weight of 2115.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,6-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
PubChem CID159252126
Molecular FormulaC150H91N9S3
Molecular Weight2115.64 g/mol
Exact Mass2113.66
IUPAC Name3,6-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
SMILESc1ccc(-c2ccc3sc4ccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c3c2)cc1.c1ccc2c(c1)sc1c(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cccc12.c1ccc2c(c1)sc1ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc12
InChIInChI=1S/C54H33N3S.2C48H29N3S/c1-2-12-34(13-3-1)35-22-28-53-45(30-35)46-33-38(25-29-54(46)58-53)57-51-26-23-36(55-47-18-8-4-14-39(47)40-15-5-9-19-48(40)55)31-43(51)44-32-37(24-27-52(44)57)56-49-20-10-6-16-41(49)42-17-7-11-21-50(42)56;1-6-18-40-32(12-1)33-13-2-7-19-41(33)49(40)30-24-26-44-38(28-30)39-29-31(50-42-20-8-3-14-34(42)35-15-4-9-21-43(35)50)25-27-45(39)51(44)46-22-11-17-37-36-16-5-10-23-47(36)52-48(37)46;1-6-16-41-33(11-1)34-12-2-7-17-42(34)49(41)30-21-24-45-38(27-30)39-28-31(50-43-18-8-3-13-35(43)36-14-4-9-19-44(36)50)22-25-46(39)51(45)32-23-26-48-40(29-32)37-15-5-10-20-47(37)52-48/h1-33H;2*1-29H
InChIKeyKVKUMZXFCIJLCI-UHFFFAOYSA-N
XLogP41.70
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002115.64
LogP ≤ 541.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 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-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole
CID 118349988
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
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
3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 58059112
9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 147466855
14-dibenzothiophen-2-yl-5-[4-[3-(14-dibenzothiophen-4-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-5-phenylphenyl]phenyl]-9-[3-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 170116120
9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 164996360
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc3sc4ccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c3c2)cc1.c1ccc2c(c1)sc1c(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cccc12.c1ccc2c(c1)sc1ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc12.
What is the InChIKey of 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?
The InChIKey is KVKUMZXFCIJLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3S.2C48H29N3S/c1-2-12-34(13-3-1)35-22-28-53-45(30-35)46-33-38(25-29-54(46)58-53)57-51-26-23-36(55-47-18-8-4-14-39(47)40-15-5-9-19-48(40)55)31-43(51)44-32-37(24-27-52(44)57)56-49-20-10-6-16-41(49)42-17-7-11-21-50(42)56;1-6-18-40-32(12-1)33-13-2-7-19-41(33)49(40)30-24-26-44-38(28-30)39-29-31(50-42-20-8-3-14-34(42)35-15-4-9-21-43(35)50)25-27-45(39)51(44)46-22-11-17-37-36-16-5-10-23-47(36)52-48(37)46;1-6-16-41-33(11-1)34-12-2-7-17-42(34)49(41)30-21-24-45-38(27-30)39-28-31(50-43-18-8-3-13-35(43)36-14-4-9-19-44(36)50)22-25-46(39)51(45)32-23-26-48-40(29-32)37-15-5-10-20-47(37)52-48/h1-33H;2*1-29H.
What are the key properties of 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?
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 has a molecular weight of 2115.64 g/mol, XLogP of 41.70, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159252126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).