5-[3-[3-([1]benzothiolo[2,3-b]quinolin-11-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole

C45H26N2OS — CID 138662504

IUPAC5-[3-[3-([1]benzothiolo[2,3-b]quinolin-11-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1cc(-c2cccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc(-c2c3ccccc3nc3sc4ccccc4c23)c1
InChIInChI=1S/C45H26N2OS/c1-5-19-36-33(16-1)41(43-35-18-4-8-22-40(35)49-45(43)46-36)29-13-9-11-27(25-29)28-12-10-14-30(26-28)47-37-20-6-2-17-34(37)42-38(47)24-23-32-31-15-3-7-21-39(31)48-44(32)42/h1-26H
InChIKeyRKQYDDHYKCJFQO-UHFFFAOYSA-N
MW642.78 g/mol
LogP12.93
Rot. Bonds3

About 5-[3-[3-([1]benzothiolo[2,3-b]quinolin-11-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole

5-[3-[3-([1]benzothiolo[2,3-b]quinolin-11-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 138662504) has the molecular formula C45H26N2OS and a molecular weight of 642.78 g/mol. Its IUPAC name is 5-[3-[3-([1]benzothiolo[2,3-b]quinolin-11-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3-[3-([1]benzothiolo[2,3-b]quinolin-11-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID138662504
Molecular FormulaC45H26N2OS
Molecular Weight642.78 g/mol
Exact Mass642.18
IUPAC Name5-[3-[3-([1]benzothiolo[2,3-b]quinolin-11-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1cc(-c2cccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc(-c2c3ccccc3nc3sc4ccccc4c23)c1
InChIInChI=1S/C45H26N2OS/c1-5-19-36-33(16-1)41(43-35-18-4-8-22-40(35)49-45(43)46-36)29-13-9-11-27(25-29)28-12-10-14-30(26-28)47-37-20-6-2-17-34(37)42-38(47)24-23-32-31-15-3-7-21-39(31)48-44(32)42/h1-26H
InChIKeyRKQYDDHYKCJFQO-UHFFFAOYSA-N
XLogP12.93
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.78
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[3-[3-([1]benzothiolo[2,3-b]quinolin-11-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole with MolForge

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Related Compounds

10-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;10-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 163782384
5-[3-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118154691
5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146215678
5-[3-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-2-pyridinyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 118154413
12-[3-(4-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 130333532
6-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146543049
5-phenyl-10-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 163599158
5-phenyl-10-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 163942946
5-(1,2-diphenylbenzimidazol-5-yl)-[1]benzofuro[3,2-c]carbazole
CID 90324654
5-phenyl-2-(3-phenylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 121343859
10-[4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 163708146
6-(3-dibenzothiophen-2-ylphenyl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;ethane
CID 144604352

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-([1]benzothiolo[2,3-b]quinolin-11-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[3-[3-([1]benzothiolo[2,3-b]quinolin-11-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole (CID 138662504) is 5-[3-[3-([1]benzothiolo[2,3-b]quinolin-11-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[3-[3-([1]benzothiolo[2,3-b]quinolin-11-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[3-[3-([1]benzothiolo[2,3-b]quinolin-11-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole is c1cc(-c2cccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc(-c2c3ccccc3nc3sc4ccccc4c23)c1.
What is the InChIKey of 5-[3-[3-([1]benzothiolo[2,3-b]quinolin-11-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is RKQYDDHYKCJFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N2OS/c1-5-19-36-33(16-1)41(43-35-18-4-8-22-40(35)49-45(43)46-36)29-13-9-11-27(25-29)28-12-10-14-30(26-28)47-37-20-6-2-17-34(37)42-38(47)24-23-32-31-15-3-7-21-39(31)48-44(32)42/h1-26H.
What are the key properties of 5-[3-[3-([1]benzothiolo[2,3-b]quinolin-11-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[3-[3-([1]benzothiolo[2,3-b]quinolin-11-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 642.78 g/mol, XLogP of 12.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-([1]benzothiolo[2,3-b]quinolin-11-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 138662504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).