5-[3-(3,4,5-triphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole

C74H48N2OS — CID 89272604

IUPAC5-[3-(3,4,5-triphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2oc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4cccc(-c5sc(-c6ccccc6)c(-c6ccccc6)c5-c5ccccc5)c4)c3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C74H48N2OS/c1-7-25-49(26-8-1)67-68(50-27-9-2-10-28-50)72(77-71(67)53-33-15-5-16-34-53)55-37-23-39-57(45-55)75-63-43-21-19-41-59(63)61-48-66-62(47-65(61)75)60-42-20-22-44-64(60)76(66)58-40-24-38-56(46-58)74-70(52-31-13-4-14-32-52)69(51-29-11-3-12-30-51)73(78-74)54-35-17-6-18-36-54/h1-48H
InChIKeyWWLMJKXCWOHGLI-UHFFFAOYSA-N
MW1013.28 g/mol
LogP20.87
Rot. Bonds10

About 5-[3-(3,4,5-triphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole

5-[3-(3,4,5-triphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole (PubChem CID 89272604) has the molecular formula C74H48N2OS and a molecular weight of 1013.28 g/mol. Its IUPAC name is 5-[3-(3,4,5-triphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-[3-(3,4,5-triphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole
PubChem CID89272604
Molecular FormulaC74H48N2OS
Molecular Weight1013.28 g/mol
Exact Mass1012.35
IUPAC Name5-[3-(3,4,5-triphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2oc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4cccc(-c5sc(-c6ccccc6)c(-c6ccccc6)c5-c5ccccc5)c4)c3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C74H48N2OS/c1-7-25-49(26-8-1)67-68(50-27-9-2-10-28-50)72(77-71(67)53-33-15-5-16-34-53)55-37-23-39-57(45-55)75-63-43-21-19-41-59(63)61-48-66-62(47-65(61)75)60-42-20-22-44-64(60)76(66)58-40-24-38-56(46-58)74-70(52-31-13-4-14-32-52)69(51-29-11-3-12-30-51)73(78-74)54-35-17-6-18-36-54/h1-48H
InChIKeyWWLMJKXCWOHGLI-UHFFFAOYSA-N
XLogP20.87
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001013.28
LogP ≤ 520.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168734
3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 168727773
5,11-bis(3-phenylphenyl)indolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 160597289
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 159418617
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 121385500
5-[4-(9-phenylcarbazol-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168715
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165386227
9-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 161402260
7-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134168520

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,4,5-triphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole?
The IUPAC name of 5-[3-(3,4,5-triphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole (CID 89272604) is 5-[3-(3,4,5-triphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole.
What is the SMILES notation for 5-[3-(3,4,5-triphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole?
The canonical SMILES for 5-[3-(3,4,5-triphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole is c1ccc(-c2oc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4cccc(-c5sc(-c6ccccc6)c(-c6ccccc6)c5-c5ccccc5)c4)c3)c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 5-[3-(3,4,5-triphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole?
The InChIKey is WWLMJKXCWOHGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N2OS/c1-7-25-49(26-8-1)67-68(50-27-9-2-10-28-50)72(77-71(67)53-33-15-5-16-34-53)55-37-23-39-57(45-55)75-63-43-21-19-41-59(63)61-48-66-62(47-65(61)75)60-42-20-22-44-64(60)76(66)58-40-24-38-56(46-58)74-70(52-31-13-4-14-32-52)69(51-29-11-3-12-30-51)73(78-74)54-35-17-6-18-36-54/h1-48H.
What are the key properties of 5-[3-(3,4,5-triphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole?
5-[3-(3,4,5-triphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole has a molecular weight of 1013.28 g/mol, XLogP of 20.87, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,4,5-triphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole is sourced from PubChem (CID 89272604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).