9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylthieno[2,3-f][1]benzothiol-7-yl]phenyl]carbazole

C58H36N2S2 — CID 175976686

IUPAC9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylthieno[2,3-f][1]benzothiol-7-yl]phenyl]carbazole
SMILESc1ccc(-c2sc3cc4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c(-c5ccccc5)sc4cc3c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C58H36N2S2/c1-3-15-39(16-4-1)57-55(37-27-31-41(32-28-37)59-49-23-11-7-19-43(49)44-20-8-12-24-50(44)59)47-35-54-48(36-53(47)61-57)56(58(62-54)40-17-5-2-6-18-40)38-29-33-42(34-30-38)60-51-25-13-9-21-45(51)46-22-10-14-26-52(46)60/h1-36H
InChIKeyOZGDPMMZQZYCKC-UHFFFAOYSA-N
MW825.07 g/mol
LogP16.98
Rot. Bonds6

About 9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylthieno[2,3-f][1]benzothiol-7-yl]phenyl]carbazole

9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylthieno[2,3-f][1]benzothiol-7-yl]phenyl]carbazole (PubChem CID 175976686) has the molecular formula C58H36N2S2 and a molecular weight of 825.07 g/mol. Its IUPAC name is 9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylthieno[2,3-f][1]benzothiol-7-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylthieno[2,3-f][1]benzothiol-7-yl]phenyl]carbazole
PubChem CID175976686
Molecular FormulaC58H36N2S2
Molecular Weight825.07 g/mol
Exact Mass824.23
IUPAC Name9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylthieno[2,3-f][1]benzothiol-7-yl]phenyl]carbazole
SMILESc1ccc(-c2sc3cc4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c(-c5ccccc5)sc4cc3c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C58H36N2S2/c1-3-15-39(16-4-1)57-55(37-27-31-41(32-28-37)59-49-23-11-7-19-43(49)44-20-8-12-24-50(44)59)47-35-54-48(36-53(47)61-57)56(58(62-54)40-17-5-2-6-18-40)38-29-33-42(34-30-38)60-51-25-13-9-21-45(51)46-22-10-14-26-52(46)60/h1-36H
InChIKeyOZGDPMMZQZYCKC-UHFFFAOYSA-N
XLogP16.98
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.07
LogP ≤ 516.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylthieno[2,3-f][1]benzothiol-7-yl]phenyl]carbazole with MolForge

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Related Compounds

9-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]carbazole
CID 89408652
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473
9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58971557
11-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 167193260
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659707
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159046230
9-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 118595106
20-(4-phenylphenyl)-10-thia-6,8,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene
CID 138640258

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylthieno[2,3-f][1]benzothiol-7-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylthieno[2,3-f][1]benzothiol-7-yl]phenyl]carbazole (CID 175976686) is 9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylthieno[2,3-f][1]benzothiol-7-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylthieno[2,3-f][1]benzothiol-7-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylthieno[2,3-f][1]benzothiol-7-yl]phenyl]carbazole is c1ccc(-c2sc3cc4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c(-c5ccccc5)sc4cc3c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylthieno[2,3-f][1]benzothiol-7-yl]phenyl]carbazole?
The InChIKey is OZGDPMMZQZYCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2S2/c1-3-15-39(16-4-1)57-55(37-27-31-41(32-28-37)59-49-23-11-7-19-43(49)44-20-8-12-24-50(44)59)47-35-54-48(36-53(47)61-57)56(58(62-54)40-17-5-2-6-18-40)38-29-33-42(34-30-38)60-51-25-13-9-21-45(51)46-22-10-14-26-52(46)60/h1-36H.
What are the key properties of 9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylthieno[2,3-f][1]benzothiol-7-yl]phenyl]carbazole?
9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylthieno[2,3-f][1]benzothiol-7-yl]phenyl]carbazole has a molecular weight of 825.07 g/mol, XLogP of 16.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylthieno[2,3-f][1]benzothiol-7-yl]phenyl]carbazole is sourced from PubChem (CID 175976686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).