3-phenyl-6-[2-[5-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)pyrido[3,2-b]indol-2-yl]pyrido[3,2-b]indol-5-yl]-[1]benzothiolo[2,3-c]pyridine

C56H32N6S2 — CID 163583618

IUPAC3-phenyl-6-[2-[5-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)pyrido[3,2-b]indol-2-yl]pyrido[3,2-b]indol-5-yl]-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-c2cc3c(cn2)sc2ccc(-n4c5ccccc5c5nc(-c6ccc7c(n6)c6ccccc6n7-c6ccc7sc8cnc(-c9ccccc9)cc8c7c6)ccc54)cc23)cc1
InChIInChI=1S/C56H32N6S2/c1-3-11-33(12-4-1)45-29-41-39-27-35(19-25-51(39)63-53(41)31-57-45)61-47-17-9-7-15-37(47)55-49(61)23-21-43(59-55)44-22-24-50-56(60-44)38-16-8-10-18-48(38)62(50)36-20-26-52-40(28-36)42-30-46(58-32-54(42)64-52)34-13-5-2-6-14-34/h1-32H
InChIKeyGJQHAOWXGJXMAN-UHFFFAOYSA-N
MW853.05 g/mol
LogP15.20
Rot. Bonds5

About 3-phenyl-6-[2-[5-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)pyrido[3,2-b]indol-2-yl]pyrido[3,2-b]indol-5-yl]-[1]benzothiolo[2,3-c]pyridine

3-phenyl-6-[2-[5-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)pyrido[3,2-b]indol-2-yl]pyrido[3,2-b]indol-5-yl]-[1]benzothiolo[2,3-c]pyridine (PubChem CID 163583618) has the molecular formula C56H32N6S2 and a molecular weight of 853.05 g/mol. Its IUPAC name is 3-phenyl-6-[2-[5-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)pyrido[3,2-b]indol-2-yl]pyrido[3,2-b]indol-5-yl]-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-phenyl-6-[2-[5-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)pyrido[3,2-b]indol-2-yl]pyrido[3,2-b]indol-5-yl]-[1]benzothiolo[2,3-c]pyridine
PubChem CID163583618
Molecular FormulaC56H32N6S2
Molecular Weight853.05 g/mol
Exact Mass852.21
IUPAC Name3-phenyl-6-[2-[5-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)pyrido[3,2-b]indol-2-yl]pyrido[3,2-b]indol-5-yl]-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-c2cc3c(cn2)sc2ccc(-n4c5ccccc5c5nc(-c6ccc7c(n6)c6ccccc6n7-c6ccc7sc8cnc(-c9ccccc9)cc8c7c6)ccc54)cc23)cc1
InChIInChI=1S/C56H32N6S2/c1-3-11-33(12-4-1)45-29-41-39-27-35(19-25-51(39)63-53(41)31-57-45)61-47-17-9-7-15-37(47)55-49(61)23-21-43(59-55)44-22-24-50-56(60-44)38-16-8-10-18-48(38)62(50)36-20-26-52-40(28-36)42-30-46(58-32-54(42)64-52)34-13-5-2-6-14-34/h1-32H
InChIKeyGJQHAOWXGJXMAN-UHFFFAOYSA-N
XLogP15.20
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.05
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-phenyl-6-[2-[5-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)pyrido[3,2-b]indol-2-yl]pyrido[3,2-b]indol-5-yl]-[1]benzothiolo[2,3-c]pyridine with MolForge

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Related Compounds

3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzothiolo[2,3-c]pyridine
CID 59413762
5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[3,2-b]indole
CID 163640640
8-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)-2-phenylpyrido[3,2-b]indole;ethane
CID 144605218
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
9-dibenzothiophen-2-yl-14-(6-phenyl-2-pyridinyl)-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 140937323
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90211472
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole
CID 118014177
6-carbazol-9-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-[1]benzothiolo[2,3-b]pyridine
CID 146572879
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole
CID 161384804
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;ethane;3-phenyl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 144750087
5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,2-b]indole
CID 146187435

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-[2-[5-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)pyrido[3,2-b]indol-2-yl]pyrido[3,2-b]indol-5-yl]-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 3-phenyl-6-[2-[5-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)pyrido[3,2-b]indol-2-yl]pyrido[3,2-b]indol-5-yl]-[1]benzothiolo[2,3-c]pyridine (CID 163583618) is 3-phenyl-6-[2-[5-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)pyrido[3,2-b]indol-2-yl]pyrido[3,2-b]indol-5-yl]-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 3-phenyl-6-[2-[5-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)pyrido[3,2-b]indol-2-yl]pyrido[3,2-b]indol-5-yl]-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 3-phenyl-6-[2-[5-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)pyrido[3,2-b]indol-2-yl]pyrido[3,2-b]indol-5-yl]-[1]benzothiolo[2,3-c]pyridine is c1ccc(-c2cc3c(cn2)sc2ccc(-n4c5ccccc5c5nc(-c6ccc7c(n6)c6ccccc6n7-c6ccc7sc8cnc(-c9ccccc9)cc8c7c6)ccc54)cc23)cc1.
What is the InChIKey of 3-phenyl-6-[2-[5-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)pyrido[3,2-b]indol-2-yl]pyrido[3,2-b]indol-5-yl]-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is GJQHAOWXGJXMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N6S2/c1-3-11-33(12-4-1)45-29-41-39-27-35(19-25-51(39)63-53(41)31-57-45)61-47-17-9-7-15-37(47)55-49(61)23-21-43(59-55)44-22-24-50-56(60-44)38-16-8-10-18-48(38)62(50)36-20-26-52-40(28-36)42-30-46(58-32-54(42)64-52)34-13-5-2-6-14-34/h1-32H.
What are the key properties of 3-phenyl-6-[2-[5-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)pyrido[3,2-b]indol-2-yl]pyrido[3,2-b]indol-5-yl]-[1]benzothiolo[2,3-c]pyridine?
3-phenyl-6-[2-[5-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)pyrido[3,2-b]indol-2-yl]pyrido[3,2-b]indol-5-yl]-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 853.05 g/mol, XLogP of 15.20, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-[2-[5-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)pyrido[3,2-b]indol-2-yl]pyrido[3,2-b]indol-5-yl]-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 163583618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).