9-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole

C85H52N2O2S2 — CID 118097812

IUPAC9-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole
SMILESC=C1/C=C\C=C/CN(c2cc(-c3cc(-c4ccc5oc6c(-c7cccc8c7sc7ccccc78)cccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)cc(-c3ccc4oc5c(-c6cccc7c6sc6ccccc67)cccc5c4c3)c2)c2ccccc21
InChIInChI=1S/C85H52N2O2S2/c1-51-19-3-2-14-42-86(75-33-9-4-20-60(51)75)58-45-54(52-38-40-78-73(49-52)67-27-15-25-65(82(67)88-78)71-31-17-29-69-63-23-7-12-36-80(63)90-84(69)71)43-56(46-58)57-44-55(47-59(48-57)87-76-34-10-5-21-61(76)62-22-6-11-35-77(62)87)53-39-41-79-74(50-53)68-28-16-26-66(83(68)89-79)72-32-18-30-70-64-24-8-13-37-81(64)91-85(70)72/h2-41,43-50H,1,42H2/b14-2-,19-3-
InChIKeyFHTMVTCIRWEPLR-VJSJXNAOSA-N
MW1197.50 g/mol
LogP24.93
Rot. Bonds7

About 9-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole

9-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole (PubChem CID 118097812) has the molecular formula C85H52N2O2S2 and a molecular weight of 1197.50 g/mol. Its IUPAC name is 9-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole
PubChem CID118097812
Molecular FormulaC85H52N2O2S2
Molecular Weight1197.50 g/mol
Exact Mass1196.35
IUPAC Name9-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole
SMILESC=C1/C=C\C=C/CN(c2cc(-c3cc(-c4ccc5oc6c(-c7cccc8c7sc7ccccc78)cccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)cc(-c3ccc4oc5c(-c6cccc7c6sc6ccccc67)cccc5c4c3)c2)c2ccccc21
InChIInChI=1S/C85H52N2O2S2/c1-51-19-3-2-14-42-86(75-33-9-4-20-60(51)75)58-45-54(52-38-40-78-73(49-52)67-27-15-25-65(82(67)88-78)71-31-17-29-69-63-23-7-12-36-80(63)90-84(69)71)43-56(46-58)57-44-55(47-59(48-57)87-76-34-10-5-21-61(76)62-22-6-11-35-77(62)87)53-39-41-79-74(50-53)68-28-16-26-66(83(68)89-79)72-32-18-30-70-64-24-8-13-37-81(64)91-85(70)72/h2-41,43-50H,1,42H2/b14-2-,19-3-
InChIKeyFHTMVTCIRWEPLR-VJSJXNAOSA-N
XLogP24.93
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001197.50
LogP ≤ 524.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole (CID 118097812) is 9-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole is C=C1/C=C\C=C/CN(c2cc(-c3cc(-c4ccc5oc6c(-c7cccc8c7sc7ccccc78)cccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)cc(-c3ccc4oc5c(-c6cccc7c6sc6ccccc67)cccc5c4c3)c2)c2ccccc21.
What is the InChIKey of 9-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole?
The InChIKey is FHTMVTCIRWEPLR-VJSJXNAOSA-N. The full InChI is InChI=1S/C85H52N2O2S2/c1-51-19-3-2-14-42-86(75-33-9-4-20-60(51)75)58-45-54(52-38-40-78-73(49-52)67-27-15-25-65(82(67)88-78)71-31-17-29-69-63-23-7-12-36-80(63)90-84(69)71)43-56(46-58)57-44-55(47-59(48-57)87-76-34-10-5-21-61(76)62-22-6-11-35-77(62)87)53-39-41-79-74(50-53)68-28-16-26-66(83(68)89-79)72-32-18-30-70-64-24-8-13-37-81(64)91-85(70)72/h2-41,43-50H,1,42H2/b14-2-,19-3-.
What are the key properties of 9-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole?
9-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole has a molecular weight of 1197.50 g/mol, XLogP of 24.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 118097812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).