2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole

C48H30N2S — CID 166510069

IUPAC2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4c4ccccc4n5-c4ccc(-c5cccc6sc7ccccc7c56)cc4)cc32)cc1
InChIInChI=1S/C48H30N2S/c1-2-12-33(13-3-1)50-41-19-7-4-14-37(41)38-29-26-32(30-44(38)50)36-17-10-21-43-47(36)39-15-5-8-20-42(39)49(43)34-27-24-31(25-28-34)35-18-11-23-46-48(35)40-16-6-9-22-45(40)51-46/h1-30H
InChIKeyBVBLTZFXGAYBAY-UHFFFAOYSA-N
MW666.85 g/mol
LogP13.58
Rot. Bonds4

About 2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole

2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole (PubChem CID 166510069) has the molecular formula C48H30N2S and a molecular weight of 666.85 g/mol. Its IUPAC name is 2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
PubChem CID166510069
Molecular FormulaC48H30N2S
Molecular Weight666.85 g/mol
Exact Mass666.21
IUPAC Name2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4c4ccccc4n5-c4ccc(-c5cccc6sc7ccccc7c56)cc4)cc32)cc1
InChIInChI=1S/C48H30N2S/c1-2-12-33(13-3-1)50-41-19-7-4-14-37(41)38-29-26-32(30-44(38)50)36-17-10-21-43-47(36)39-15-5-8-20-42(39)49(43)34-27-24-31(25-28-34)35-18-11-23-46-48(35)40-16-6-9-22-45(40)51-46/h1-30H
InChIKeyBVBLTZFXGAYBAY-UHFFFAOYSA-N
XLogP13.58
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.85
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 166510060
2-[9-(3-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510074
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
2-[9-(2-dibenzothiophen-2-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510089
2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole
CID 167452874
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
N-(4-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169009610
4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 121244792
4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 118231228
2-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole;2-dibenzothiophen-4-yl-9-(4-phenylphenyl)carbazole;4-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 157492203
4-(24-dibenzothiophen-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-9-phenylcarbazole
CID 118860881
16-(4-dibenzothiophen-1-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 147064264

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole?
The IUPAC name of 2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole (CID 166510069) is 2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4c4ccccc4n5-c4ccc(-c5cccc6sc7ccccc7c56)cc4)cc32)cc1.
What is the InChIKey of 2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole?
The InChIKey is BVBLTZFXGAYBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S/c1-2-12-33(13-3-1)50-41-19-7-4-14-37(41)38-29-26-32(30-44(38)50)36-17-10-21-43-47(36)39-15-5-8-20-42(39)49(43)34-27-24-31(25-28-34)35-18-11-23-46-48(35)40-16-6-9-22-45(40)51-46/h1-30H.
What are the key properties of 2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole?
2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole has a molecular weight of 666.85 g/mol, XLogP of 13.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 166510069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).