3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole

C90H56N4S2 — CID 165095044

IUPAC3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole
SMILESc1ccc(-c2ccc3sc4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4c3c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5sc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C48H30N2S.C42H26N2S/c1-3-12-31(13-4-1)32-24-27-46-40(30-32)48-45(20-11-21-47(48)51-46)50-42-19-10-8-17-37(42)39-29-34(23-26-44(39)50)33-22-25-43-38(28-33)36-16-7-9-18-41(36)49(43)35-14-5-2-6-15-35;1-2-11-29(12-3-1)43-35-16-7-4-13-30(35)33-25-27(21-23-37(33)43)28-22-24-38-34(26-28)31-14-5-8-17-36(31)44(38)39-18-10-20-41-42(39)32-15-6-9-19-40(32)45-41/h1-30H;1-26H
InChIKeyXIVLLJVOZPJILK-UHFFFAOYSA-N
MW1257.60 g/mol
LogP25.50
Rot. Bonds7

About 3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole

3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole (PubChem CID 165095044) has the molecular formula C90H56N4S2 and a molecular weight of 1257.60 g/mol. Its IUPAC name is 3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole.

Molecular Properties

Compound Name3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole
PubChem CID165095044
Molecular FormulaC90H56N4S2
Molecular Weight1257.60 g/mol
Exact Mass1256.39
IUPAC Name3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole
SMILESc1ccc(-c2ccc3sc4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4c3c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5sc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C48H30N2S.C42H26N2S/c1-3-12-31(13-4-1)32-24-27-46-40(30-32)48-45(20-11-21-47(48)51-46)50-42-19-10-8-17-37(42)39-29-34(23-26-44(39)50)33-22-25-43-38(28-33)36-16-7-9-18-41(36)49(43)35-14-5-2-6-15-35;1-2-11-29(12-3-1)43-35-16-7-4-13-30(35)33-25-27(21-23-37(33)43)28-22-24-38-34(26-28)31-14-5-8-17-36(31)44(38)39-18-10-20-41-42(39)32-15-6-9-19-40(32)45-41/h1-30H;1-26H
InChIKeyXIVLLJVOZPJILK-UHFFFAOYSA-N
XLogP25.50
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001257.60
LogP ≤ 525.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole
CID 170278932
2-(9-dibenzothiophen-1-yl-7-phenylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
CID 167243474
9-dibenzothiophen-1-yl-14-[4-(3-phenylphenyl)phenyl]-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 166961037
3-(9-phenylcarbazol-3-yl)-9-(1-phenyldibenzothiophen-2-yl)carbazole
CID 174371073
9-dibenzothiophen-1-yl-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 166961335
3-(18-carbazol-9-yl-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-6,9-diphenylcarbazole
CID 59147343
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 177077251
9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
CID 166037348
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
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole?
The IUPAC name of 3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole (CID 165095044) is 3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole.
What is the SMILES notation for 3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole?
The canonical SMILES for 3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole is c1ccc(-c2ccc3sc4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4c3c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5sc6ccccc6c45)ccc32)cc1.
What is the InChIKey of 3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole?
The InChIKey is XIVLLJVOZPJILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S.C42H26N2S/c1-3-12-31(13-4-1)32-24-27-46-40(30-32)48-45(20-11-21-47(48)51-46)50-42-19-10-8-17-37(42)39-29-34(23-26-44(39)50)33-22-25-43-38(28-33)36-16-7-9-18-41(36)49(43)35-14-5-2-6-15-35;1-2-11-29(12-3-1)43-35-16-7-4-13-30(35)33-25-27(21-23-37(33)43)28-22-24-38-34(26-28)31-14-5-8-17-36(31)44(38)39-18-10-20-41-42(39)32-15-6-9-19-40(32)45-41/h1-30H;1-26H.
What are the key properties of 3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole?
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole has a molecular weight of 1257.60 g/mol, XLogP of 25.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole is sourced from PubChem (CID 165095044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).