N-[4-(6-dibenzothiophen-4-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine

C66H40N2OS — CID 89491962

IUPACN-[4-(6-dibenzothiophen-4-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)c3cc(-c5cccc6c5sc5ccccc56)ccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C66H40N2OS/c1-2-14-44(15-3-1)67(61-24-13-26-63-65(61)55-21-8-10-25-62(55)69-63)45-32-28-41(29-33-45)42-30-36-59-57(38-42)58-39-43(47-22-12-23-54-53-20-9-11-27-64(53)70-66(47)54)31-37-60(58)68(59)46-34-35-52-50-18-5-4-16-48(50)49-17-6-7-19-51(49)56(52)40-46/h1-40H
InChIKeyGHPGGGHSIGFUMO-UHFFFAOYSA-N
MW909.13 g/mol
LogP19.31
Rot. Bonds6

About N-[4-(6-dibenzothiophen-4-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine

N-[4-(6-dibenzothiophen-4-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine (PubChem CID 89491962) has the molecular formula C66H40N2OS and a molecular weight of 909.13 g/mol. Its IUPAC name is N-[4-(6-dibenzothiophen-4-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(6-dibenzothiophen-4-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine
PubChem CID89491962
Molecular FormulaC66H40N2OS
Molecular Weight909.13 g/mol
Exact Mass908.29
IUPAC NameN-[4-(6-dibenzothiophen-4-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)c3cc(-c5cccc6c5sc5ccccc56)ccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C66H40N2OS/c1-2-14-44(15-3-1)67(61-24-13-26-63-65(61)55-21-8-10-25-62(55)69-63)45-32-28-41(29-33-45)42-30-36-59-57(38-42)58-39-43(47-22-12-23-54-53-20-9-11-27-64(53)70-66(47)54)31-37-60(58)68(59)46-34-35-52-50-18-5-4-16-48(50)49-17-6-7-19-51(49)56(52)40-46/h1-40H
InChIKeyGHPGGGHSIGFUMO-UHFFFAOYSA-N
XLogP19.31
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.13
LogP ≤ 519.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

CID 58511007
CID 58511007
CID 66585175
CID 66585175
CID 89798902
CID 89798902
CID 89965883
CID 89965883
CID 90129117
CID 90129117
CID 90194011
CID 90194011
CID 90194063
CID 90194063
CID 90194067
CID 90194067
CID 90194069
CID 90194069
CID 90194089
CID 90194089
CID 90213676
CID 90213676
CID 90360971
CID 90360971

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-dibenzothiophen-4-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine?
The IUPAC name of N-[4-(6-dibenzothiophen-4-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine (CID 89491962) is N-[4-(6-dibenzothiophen-4-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-[4-(6-dibenzothiophen-4-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine?
The canonical SMILES for N-[4-(6-dibenzothiophen-4-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine is c1ccc(N(c2ccc(-c3ccc4c(c3)c3cc(-c5cccc6c5sc5ccccc56)ccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of N-[4-(6-dibenzothiophen-4-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine?
The InChIKey is GHPGGGHSIGFUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N2OS/c1-2-14-44(15-3-1)67(61-24-13-26-63-65(61)55-21-8-10-25-62(55)69-63)45-32-28-41(29-33-45)42-30-36-59-57(38-42)58-39-43(47-22-12-23-54-53-20-9-11-27-64(53)70-66(47)54)31-37-60(58)68(59)46-34-35-52-50-18-5-4-16-48(50)49-17-6-7-19-51(49)56(52)40-46/h1-40H.
What are the key properties of N-[4-(6-dibenzothiophen-4-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine?
N-[4-(6-dibenzothiophen-4-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine has a molecular weight of 909.13 g/mol, XLogP of 19.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-dibenzothiophen-4-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine is sourced from PubChem (CID 89491962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).