N'-[(Z)-1,3-di(dibenzofuran-2-yl)prop-1-enyl]-1-[12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazol-5-yl]-N-methylmethanediamine

C74H47N7O2S2 — CID 129209966

IUPACN'-[(Z)-1,3-di(dibenzofuran-2-yl)prop-1-enyl]-1-[12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazol-5-yl]-N-methylmethanediamine
SMILESCNC(N/C(=C\Cc1ccc2oc3ccccc3c2c1)c1ccc2oc3ccccc3c2c1)n1c2ccccc2c2c3c(ccc21)c1ccccc1n3-c1nc(-c2ccc3sc4ccccc4c3c2)nc(-c2ccc3sc4ccccc4c3c2)n1
InChIInChI=1S/C74H47N7O2S2/c1-75-73(76-57(43-28-35-64-54(39-43)48-16-5-11-23-62(48)83-64)32-26-42-27-34-63-53(38-42)47-15-4-10-22-61(47)82-63)80-59-21-9-3-19-52(59)69-60(80)33-31-51-46-14-2-8-20-58(46)81(70(51)69)74-78-71(44-29-36-67-55(40-44)49-17-6-12-24-65(49)84-67)77-72(79-74)45-30-37-68-56(41-45)50-18-7-13-25-66(50)85-68/h2-25,27-41,73,75-76H,26H2,1H3/b57-32-
InChIKeyMNBBHOZUVUMHKC-QDQAAGPGSA-N
MW1130.37 g/mol
LogP19.49
Rot. Bonds10

About N'-[(Z)-1,3-di(dibenzofuran-2-yl)prop-1-enyl]-1-[12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazol-5-yl]-N-methylmethanediamine

N'-[(Z)-1,3-di(dibenzofuran-2-yl)prop-1-enyl]-1-[12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazol-5-yl]-N-methylmethanediamine (PubChem CID 129209966) has the molecular formula C74H47N7O2S2 and a molecular weight of 1130.37 g/mol. Its IUPAC name is N'-[(Z)-1,3-di(dibenzofuran-2-yl)prop-1-enyl]-1-[12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazol-5-yl]-N-methylmethanediamine.

Molecular Properties

Compound NameN'-[(Z)-1,3-di(dibenzofuran-2-yl)prop-1-enyl]-1-[12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazol-5-yl]-N-methylmethanediamine
PubChem CID129209966
Molecular FormulaC74H47N7O2S2
Molecular Weight1130.37 g/mol
Exact Mass1129.32
IUPAC NameN'-[(Z)-1,3-di(dibenzofuran-2-yl)prop-1-enyl]-1-[12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazol-5-yl]-N-methylmethanediamine
SMILESCNC(N/C(=C\Cc1ccc2oc3ccccc3c2c1)c1ccc2oc3ccccc3c2c1)n1c2ccccc2c2c3c(ccc21)c1ccccc1n3-c1nc(-c2ccc3sc4ccccc4c3c2)nc(-c2ccc3sc4ccccc4c3c2)n1
InChIInChI=1S/C74H47N7O2S2/c1-75-73(76-57(43-28-35-64-54(39-43)48-16-5-11-23-62(48)83-64)32-26-42-27-34-63-53(38-42)47-15-4-10-22-61(47)82-63)80-59-21-9-3-19-52(59)69-60(80)33-31-51-46-14-2-8-20-58(46)81(70(51)69)74-78-71(44-29-36-67-55(40-44)49-17-6-12-24-65(49)84-67)77-72(79-74)45-30-37-68-56(41-45)50-18-7-13-25-66(50)85-68/h2-25,27-41,73,75-76H,26H2,1H3/b57-32-
InChIKeyMNBBHOZUVUMHKC-QDQAAGPGSA-N
XLogP19.49
TPSA98.87 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001130.37
LogP ≤ 519.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1,3-di(dibenzofuran-2-yl)prop-1-enyl]-1-[12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazol-5-yl]-N-methylmethanediamine?
The IUPAC name of N'-[(Z)-1,3-di(dibenzofuran-2-yl)prop-1-enyl]-1-[12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazol-5-yl]-N-methylmethanediamine (CID 129209966) is N'-[(Z)-1,3-di(dibenzofuran-2-yl)prop-1-enyl]-1-[12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazol-5-yl]-N-methylmethanediamine.
What is the SMILES notation for N'-[(Z)-1,3-di(dibenzofuran-2-yl)prop-1-enyl]-1-[12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazol-5-yl]-N-methylmethanediamine?
The canonical SMILES for N'-[(Z)-1,3-di(dibenzofuran-2-yl)prop-1-enyl]-1-[12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazol-5-yl]-N-methylmethanediamine is CNC(N/C(=C\Cc1ccc2oc3ccccc3c2c1)c1ccc2oc3ccccc3c2c1)n1c2ccccc2c2c3c(ccc21)c1ccccc1n3-c1nc(-c2ccc3sc4ccccc4c3c2)nc(-c2ccc3sc4ccccc4c3c2)n1.
What is the InChIKey of N'-[(Z)-1,3-di(dibenzofuran-2-yl)prop-1-enyl]-1-[12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazol-5-yl]-N-methylmethanediamine?
The InChIKey is MNBBHOZUVUMHKC-QDQAAGPGSA-N. The full InChI is InChI=1S/C74H47N7O2S2/c1-75-73(76-57(43-28-35-64-54(39-43)48-16-5-11-23-62(48)83-64)32-26-42-27-34-63-53(38-42)47-15-4-10-22-61(47)82-63)80-59-21-9-3-19-52(59)69-60(80)33-31-51-46-14-2-8-20-58(46)81(70(51)69)74-78-71(44-29-36-67-55(40-44)49-17-6-12-24-65(49)84-67)77-72(79-74)45-30-37-68-56(41-45)50-18-7-13-25-66(50)85-68/h2-25,27-41,73,75-76H,26H2,1H3/b57-32-.
What are the key properties of N'-[(Z)-1,3-di(dibenzofuran-2-yl)prop-1-enyl]-1-[12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazol-5-yl]-N-methylmethanediamine?
N'-[(Z)-1,3-di(dibenzofuran-2-yl)prop-1-enyl]-1-[12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazol-5-yl]-N-methylmethanediamine has a molecular weight of 1130.37 g/mol, XLogP of 19.49, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1,3-di(dibenzofuran-2-yl)prop-1-enyl]-1-[12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazol-5-yl]-N-methylmethanediamine is sourced from PubChem (CID 129209966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).