5-[3-(5-cyclohexa-1,3-dien-1-yl-3,4-diphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole

C74H50N2OS — CID 89307279

IUPAC5-[3-(5-cyclohexa-1,3-dien-1-yl-3,4-diphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole
SMILESC1=CCCC(c2oc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4cccc(-c5sc(-c6ccccc6)c(-c6ccccc6)c5-c5ccccc5)c4)c3)c(-c3ccccc3)c2-c2ccccc2)=C1
InChIInChI=1S/C74H50N2OS/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/h1-15,17-33,35-48H,16,34H2
InChIKeyNYLBLYUWKVAGOV-UHFFFAOYSA-N
MW1015.29 g/mol
LogP20.94
Rot. Bonds10

About 5-[3-(5-cyclohexa-1,3-dien-1-yl-3,4-diphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole

5-[3-(5-cyclohexa-1,3-dien-1-yl-3,4-diphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole (PubChem CID 89307279) has the molecular formula C74H50N2OS and a molecular weight of 1015.29 g/mol. Its IUPAC name is 5-[3-(5-cyclohexa-1,3-dien-1-yl-3,4-diphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-[3-(5-cyclohexa-1,3-dien-1-yl-3,4-diphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole
PubChem CID89307279
Molecular FormulaC74H50N2OS
Molecular Weight1015.29 g/mol
Exact Mass1014.36
IUPAC Name5-[3-(5-cyclohexa-1,3-dien-1-yl-3,4-diphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole
SMILESC1=CCCC(c2oc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4cccc(-c5sc(-c6ccccc6)c(-c6ccccc6)c5-c5ccccc5)c4)c3)c(-c3ccccc3)c2-c2ccccc2)=C1
InChIInChI=1S/C74H50N2OS/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/h1-15,17-33,35-48H,16,34H2
InChIKeyNYLBLYUWKVAGOV-UHFFFAOYSA-N
XLogP20.94
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001015.29
LogP ≤ 520.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[3-(5-cyclohexa-1,3-dien-1-yl-3,4-diphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-cyclohexa-1,3-dien-1-yl-3,4-diphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole?
The IUPAC name of 5-[3-(5-cyclohexa-1,3-dien-1-yl-3,4-diphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole (CID 89307279) is 5-[3-(5-cyclohexa-1,3-dien-1-yl-3,4-diphenylfuran-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-(5-cyclohexa-1,3-dien-1-yl-3,4-diphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole?
The canonical SMILES for 5-[3-(5-cyclohexa-1,3-dien-1-yl-3,4-diphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole is C1=CCCC(c2oc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4cccc(-c5sc(-c6ccccc6)c(-c6ccccc6)c5-c5ccccc5)c4)c3)c(-c3ccccc3)c2-c2ccccc2)=C1.
What is the InChIKey of 5-[3-(5-cyclohexa-1,3-dien-1-yl-3,4-diphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole?
The InChIKey is NYLBLYUWKVAGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H50N2OS/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/h1-15,17-33,35-48H,16,34H2.
What are the key properties of 5-[3-(5-cyclohexa-1,3-dien-1-yl-3,4-diphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole?
5-[3-(5-cyclohexa-1,3-dien-1-yl-3,4-diphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole has a molecular weight of 1015.29 g/mol, XLogP of 20.94, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-cyclohexa-1,3-dien-1-yl-3,4-diphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole is sourced from PubChem (CID 89307279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).