3,9-diphenyl-6-[9-[8-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]carbazole

C66H42N2S — CID 154591070

IUPAC3,9-diphenyl-6-[9-[8-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)ccc54)cc4c3sc3ccc(-c5ccccc5)cc34)cc2)cc1
InChIInChI=1S/C66H42N2S/c1-5-15-43(16-6-1)46-25-27-47(28-26-46)55-41-53(42-60-59-40-49(45-19-9-3-10-20-45)32-36-65(59)69-66(55)60)68-61-24-14-13-23-54(61)56-38-50(30-34-62(56)68)51-31-35-64-58(39-51)57-37-48(44-17-7-2-8-18-44)29-33-63(57)67(64)52-21-11-4-12-22-52/h1-42H
InChIKeyCVAFBROHSQKZLB-UHFFFAOYSA-N
MW895.14 g/mol
LogP18.58
Rot. Bonds7

About 3,9-diphenyl-6-[9-[8-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]carbazole

3,9-diphenyl-6-[9-[8-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]carbazole (PubChem CID 154591070) has the molecular formula C66H42N2S and a molecular weight of 895.14 g/mol. Its IUPAC name is 3,9-diphenyl-6-[9-[8-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3,9-diphenyl-6-[9-[8-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]carbazole
PubChem CID154591070
Molecular FormulaC66H42N2S
Molecular Weight895.14 g/mol
Exact Mass894.31
IUPAC Name3,9-diphenyl-6-[9-[8-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)ccc54)cc4c3sc3ccc(-c5ccccc5)cc34)cc2)cc1
InChIInChI=1S/C66H42N2S/c1-5-15-43(16-6-1)46-25-27-47(28-26-46)55-41-53(42-60-59-40-49(45-19-9-3-10-20-45)32-36-65(59)69-66(55)60)68-61-24-14-13-23-54(61)56-38-50(30-34-62(56)68)51-31-35-64-58(39-51)57-37-48(44-17-7-2-8-18-44)29-33-63(57)67(64)52-21-11-4-12-22-52/h1-42H
InChIKeyCVAFBROHSQKZLB-UHFFFAOYSA-N
XLogP18.58
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.14
LogP ≤ 518.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492215
3-(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 87156348
9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-3-(2,8-diphenyldibenzothiophen-4-yl)carbazole
CID 87156398
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
3-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole
CID 154601885
9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174
3-(9-phenylcarbazol-3-yl)-9-(18-phenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)carbazole
CID 135171603
2,7-bis(2,8-diphenyldibenzothiophen-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-2,7-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole
CID 159517353
9-phenyl-3-[8-(4-phenyldibenzothiophen-2-yl)dibenzofuran-2-yl]carbazole
CID 164838503
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-1-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-3-yl]carbazole
CID 158362504
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901

Frequently Asked Questions

What is the IUPAC name of 3,9-diphenyl-6-[9-[8-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]carbazole?
The IUPAC name of 3,9-diphenyl-6-[9-[8-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]carbazole (CID 154591070) is 3,9-diphenyl-6-[9-[8-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]carbazole.
What is the SMILES notation for 3,9-diphenyl-6-[9-[8-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]carbazole?
The canonical SMILES for 3,9-diphenyl-6-[9-[8-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]carbazole is c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)ccc54)cc4c3sc3ccc(-c5ccccc5)cc34)cc2)cc1.
What is the InChIKey of 3,9-diphenyl-6-[9-[8-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]carbazole?
The InChIKey is CVAFBROHSQKZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2S/c1-5-15-43(16-6-1)46-25-27-47(28-26-46)55-41-53(42-60-59-40-49(45-19-9-3-10-20-45)32-36-65(59)69-66(55)60)68-61-24-14-13-23-54(61)56-38-50(30-34-62(56)68)51-31-35-64-58(39-51)57-37-48(44-17-7-2-8-18-44)29-33-63(57)67(64)52-21-11-4-12-22-52/h1-42H.
What are the key properties of 3,9-diphenyl-6-[9-[8-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]carbazole?
3,9-diphenyl-6-[9-[8-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]carbazole has a molecular weight of 895.14 g/mol, XLogP of 18.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diphenyl-6-[9-[8-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]carbazole is sourced from PubChem (CID 154591070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).