3-[6-[10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9-phenylcarbazol-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole

C70H47N3S2 — CID 121285667

IUPAC3-[6-[10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9-phenylcarbazol-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N3c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)C7Sc9ccccc9C7N8c7ccccc7)ccc5n6-c5ccccc5)cc4C4Sc5ccccc5C43)c2)cc1
InChIInChI=1S/C70H47N3S2/c1-5-17-44(18-6-1)50-37-51(45-19-7-2-8-20-45)39-54(38-50)73-64-36-32-49(43-60(64)70-68(73)56-26-14-16-28-66(56)75-70)47-30-34-62-58(41-47)57-40-46(29-33-61(57)71(62)52-21-9-3-10-22-52)48-31-35-63-59(42-48)69-67(55-25-13-15-27-65(55)74-69)72(63)53-23-11-4-12-24-53/h1-43,67-70H
InChIKeyICRCNHKULYKICN-UHFFFAOYSA-N
MW994.30 g/mol
LogP19.53
Rot. Bonds7

About 3-[6-[10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9-phenylcarbazol-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole

3-[6-[10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9-phenylcarbazol-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole (PubChem CID 121285667) has the molecular formula C70H47N3S2 and a molecular weight of 994.30 g/mol. Its IUPAC name is 3-[6-[10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9-phenylcarbazol-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name3-[6-[10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9-phenylcarbazol-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole
PubChem CID121285667
Molecular FormulaC70H47N3S2
Molecular Weight994.30 g/mol
Exact Mass993.32
IUPAC Name3-[6-[10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9-phenylcarbazol-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N3c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)C7Sc9ccccc9C7N8c7ccccc7)ccc5n6-c5ccccc5)cc4C4Sc5ccccc5C43)c2)cc1
InChIInChI=1S/C70H47N3S2/c1-5-17-44(18-6-1)50-37-51(45-19-7-2-8-20-45)39-54(38-50)73-64-36-32-49(43-60(64)70-68(73)56-26-14-16-28-66(56)75-70)47-30-34-62-58(41-47)57-40-46(29-33-61(57)71(62)52-21-9-3-10-22-52)48-31-35-63-59(42-48)69-67(55-25-13-15-27-65(55)74-69)72(63)53-23-11-4-12-24-53/h1-43,67-70H
InChIKeyICRCNHKULYKICN-UHFFFAOYSA-N
XLogP19.53
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500994.30
LogP ≤ 519.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[6-[10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9-phenylcarbazol-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole with MolForge

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Related Compounds

8-[6-[10-(3,5-diphenylphenyl)-5-phenyl-4b,9b-dihydroindolo[3,2-b]indol-3-yl]-9-phenylcarbazol-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzofuro[3,2-b]indole
CID 121285559
3-[6-(5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indol-3-yl)-9-phenylcarbazol-3-yl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4b,9b-dihydroindolo[3,2-b]indole
CID 121287021
9-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161445204
3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
3-[6-[(7E,9Z)-12,12-dimethyl-11-methylidene-6,12a-dihydro-5aH-cyclonona[b][1]benzofuran-8-yl]-9-phenylcarbazol-3-yl]-10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzofuro[3,2-b]indole
CID 121285652
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265445
9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-[9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 167244726

Frequently Asked Questions

What is the IUPAC name of 3-[6-[10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9-phenylcarbazol-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 3-[6-[10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9-phenylcarbazol-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole (CID 121285667) is 3-[6-[10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9-phenylcarbazol-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 3-[6-[10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9-phenylcarbazol-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 3-[6-[10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9-phenylcarbazol-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole is c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)C7Sc9ccccc9C7N8c7ccccc7)ccc5n6-c5ccccc5)cc4C4Sc5ccccc5C43)c2)cc1.
What is the InChIKey of 3-[6-[10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9-phenylcarbazol-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole?
The InChIKey is ICRCNHKULYKICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H47N3S2/c1-5-17-44(18-6-1)50-37-51(45-19-7-2-8-20-45)39-54(38-50)73-64-36-32-49(43-60(64)70-68(73)56-26-14-16-28-66(56)75-70)47-30-34-62-58(41-47)57-40-46(29-33-61(57)71(62)52-21-9-3-10-22-52)48-31-35-63-59(42-48)69-67(55-25-13-15-27-65(55)74-69)72(63)53-23-11-4-12-24-53/h1-43,67-70H.
What are the key properties of 3-[6-[10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9-phenylcarbazol-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole?
3-[6-[10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9-phenylcarbazol-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole has a molecular weight of 994.30 g/mol, XLogP of 19.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9-phenylcarbazol-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 121285667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).