2-(7-carbazol-9-yldibenzothiophen-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole

C44H26N2OS — CID 165168646

IUPAC2-(7-carbazol-9-yldibenzothiophen-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3c4cc(-c5ccc6c(c5)sc5cc(-n7c8ccccc8c8ccccc87)ccc56)ccc4oc32)cc1
InChIInChI=1S/C44H26N2OS/c1-2-10-29(11-3-1)46-39-17-9-6-14-35(39)43-36-24-27(19-23-40(36)47-44(43)46)28-18-21-33-34-22-20-30(26-42(34)48-41(33)25-28)45-37-15-7-4-12-31(37)32-13-5-8-16-38(32)45/h1-26H
InChIKeyQGVSAQYFFHYXHF-UHFFFAOYSA-N
MW630.77 g/mol
LogP12.66
Rot. Bonds3

About 2-(7-carbazol-9-yldibenzothiophen-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole

2-(7-carbazol-9-yldibenzothiophen-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole (PubChem CID 165168646) has the molecular formula C44H26N2OS and a molecular weight of 630.77 g/mol. Its IUPAC name is 2-(7-carbazol-9-yldibenzothiophen-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound Name2-(7-carbazol-9-yldibenzothiophen-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
PubChem CID165168646
Molecular FormulaC44H26N2OS
Molecular Weight630.77 g/mol
Exact Mass630.18
IUPAC Name2-(7-carbazol-9-yldibenzothiophen-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3c4cc(-c5ccc6c(c5)sc5cc(-n7c8ccccc8c8ccccc87)ccc56)ccc4oc32)cc1
InChIInChI=1S/C44H26N2OS/c1-2-10-29(11-3-1)46-39-17-9-6-14-35(39)43-36-24-27(19-23-40(36)47-44(43)46)28-18-21-33-34-22-20-30(26-42(34)48-41(33)25-28)45-37-15-7-4-12-31(37)32-13-5-8-16-38(32)45/h1-26H
InChIKeyQGVSAQYFFHYXHF-UHFFFAOYSA-N
XLogP12.66
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.77
LogP ≤ 512.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168921
2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168644
6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]indole
CID 165169108
3-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165169014
6-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole
CID 165168964
9-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 167587667
6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole
CID 167550552
6-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]indole
CID 165168862
3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole
CID 170279316
3-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165169158
12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenylindolo[3,2-c]carbazole
CID 170286797
6-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole
CID 165168869

Frequently Asked Questions

What is the IUPAC name of 2-(7-carbazol-9-yldibenzothiophen-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole?
The IUPAC name of 2-(7-carbazol-9-yldibenzothiophen-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole (CID 165168646) is 2-(7-carbazol-9-yldibenzothiophen-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for 2-(7-carbazol-9-yldibenzothiophen-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole?
The canonical SMILES for 2-(7-carbazol-9-yldibenzothiophen-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole is c1ccc(-n2c3ccccc3c3c4cc(-c5ccc6c(c5)sc5cc(-n7c8ccccc8c8ccccc87)ccc56)ccc4oc32)cc1.
What is the InChIKey of 2-(7-carbazol-9-yldibenzothiophen-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole?
The InChIKey is QGVSAQYFFHYXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2OS/c1-2-10-29(11-3-1)46-39-17-9-6-14-35(39)43-36-24-27(19-23-40(36)47-44(43)46)28-18-21-33-34-22-20-30(26-42(34)48-41(33)25-28)45-37-15-7-4-12-31(37)32-13-5-8-16-38(32)45/h1-26H.
What are the key properties of 2-(7-carbazol-9-yldibenzothiophen-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole?
2-(7-carbazol-9-yldibenzothiophen-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole has a molecular weight of 630.77 g/mol, XLogP of 12.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-carbazol-9-yldibenzothiophen-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 165168646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).