6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine

C59H36N2OS — CID 147072849

IUPAC6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine
SMILESc1cc(-c2cccc(-c3ccc4sc5ccc(-c6cccc(-c7cccc(-c8ccc9oc%10cnccc%10c9c8)c7)c6)cc5c4c3)c2)cc(-c2ccc3[nH]c4ccccc4c3c2)c1
InChIInChI=1S/C59H36N2OS/c1-2-16-54-48(15-1)50-31-44(17-21-55(50)61-54)40-11-3-7-36(27-40)38-9-5-13-42(29-38)46-19-23-58-52(33-46)53-34-47(20-24-59(53)63-58)43-14-6-10-39(30-43)37-8-4-12-41(28-37)45-18-22-56-51(32-45)49-25-26-60-35-57(49)62-56/h1-35,61H
InChIKeyBFJRGEXMYAFGMW-UHFFFAOYSA-N
MW821.02 g/mol
LogP16.99
Rot. Bonds6

About 6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine

6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 147072849) has the molecular formula C59H36N2OS and a molecular weight of 821.02 g/mol. Its IUPAC name is 6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine
PubChem CID147072849
Molecular FormulaC59H36N2OS
Molecular Weight821.02 g/mol
Exact Mass820.25
IUPAC Name6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine
SMILESc1cc(-c2cccc(-c3ccc4sc5ccc(-c6cccc(-c7cccc(-c8ccc9oc%10cnccc%10c9c8)c7)c6)cc5c4c3)c2)cc(-c2ccc3[nH]c4ccccc4c3c2)c1
InChIInChI=1S/C59H36N2OS/c1-2-16-54-48(15-1)50-31-44(17-21-55(50)61-54)40-11-3-7-36(27-40)38-9-5-13-42(29-38)46-19-23-58-52(33-46)53-34-47(20-24-59(53)63-58)43-14-6-10-39(30-43)37-8-4-12-41(28-37)45-18-22-56-51(32-45)49-25-26-60-35-57(49)62-56/h1-35,61H
InChIKeyBFJRGEXMYAFGMW-UHFFFAOYSA-N
XLogP16.99
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.02
LogP ≤ 516.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one
CID 23647567
N-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)-5-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-fluorophenyl)isoquinolin-6-amine
CID 122666307
2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;trihydrochloride
CID 160348180
1-(3,5-Dimethylphenyl)-8-fluoro-7-(3-methyl-1-benzothiophen-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 168736802
11-Fluoro-6-(4-methyldibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline
CID 171407320
6-(7-Fluorodibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline
CID 171407324
1,2-Difluoro-6-(8-methyl-[1]benzothiolo[2,3-b]pyridin-6-yl)-[1]benzofuro[2,3-c]quinoline
CID 171407338
2-(1-benzothiophen-3-yl)-8-piperidin-4-yl-6H-pyrrolo[3,2-e][1,3]benzoxazole
CID 17953619
2-(1-benzothiophen-3-yl)-8-piperidin-4-yl-6H-pyrrolo[3,2-e][1,3]benzoxazole;hydrochloride
CID 17953660
2-[3-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-7-(1H-inden-1-yl)-4-(1H-indol-2-yl)quinolin-6-yl]-1,3-oxazole
CID 53651180
9-[8-[3-(3-Dibenzofuran-2-ylphenyl)phenyl]dibenzothiophen-2-yl]pyrido[3,4-b]indole
CID 57544060
8-[8-(8-Phenyldibenzothiophen-2-yl)dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544120

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine (CID 147072849) is 6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine is c1cc(-c2cccc(-c3ccc4sc5ccc(-c6cccc(-c7cccc(-c8ccc9oc%10cnccc%10c9c8)c7)c6)cc5c4c3)c2)cc(-c2ccc3[nH]c4ccccc4c3c2)c1.
What is the InChIKey of 6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine?
The InChIKey is BFJRGEXMYAFGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2OS/c1-2-16-54-48(15-1)50-31-44(17-21-55(50)61-54)40-11-3-7-36(27-40)38-9-5-13-42(29-38)46-19-23-58-52(33-46)53-34-47(20-24-59(53)63-58)43-14-6-10-39(30-43)37-8-4-12-41(28-37)45-18-22-56-51(32-45)49-25-26-60-35-57(49)62-56/h1-35,61H.
What are the key properties of 6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine?
6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 821.02 g/mol, XLogP of 16.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 147072849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).