N-[4-(12-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyltriphenylen-2-amine

C60H36N2OS — CID 170369049

IUPACN-[4-(12-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyltriphenylen-2-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4c(-c5cccc6c5sc5ccccc56)c5c(cc43)oc3ccccc35)cc2)c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C60H36N2OS/c1-2-15-37(16-3-1)61(40-33-34-45-43-19-5-4-17-41(43)42-18-6-7-20-44(42)51(45)35-40)38-29-31-39(32-30-38)62-52-26-11-8-22-48(52)57-53(62)36-55-58(49-23-9-12-27-54(49)63-55)59(57)50-25-14-24-47-46-21-10-13-28-56(46)64-60(47)50/h1-36H
InChIKeyROJICRGLAMEIEZ-UHFFFAOYSA-N
MW833.03 g/mol
LogP17.65
Rot. Bonds5

About N-[4-(12-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyltriphenylen-2-amine

N-[4-(12-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyltriphenylen-2-amine (PubChem CID 170369049) has the molecular formula C60H36N2OS and a molecular weight of 833.03 g/mol. Its IUPAC name is N-[4-(12-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyltriphenylen-2-amine.

Molecular Properties

Compound NameN-[4-(12-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyltriphenylen-2-amine
PubChem CID170369049
Molecular FormulaC60H36N2OS
Molecular Weight833.03 g/mol
Exact Mass832.25
IUPAC NameN-[4-(12-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyltriphenylen-2-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4c(-c5cccc6c5sc5ccccc56)c5c(cc43)oc3ccccc35)cc2)c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C60H36N2OS/c1-2-15-37(16-3-1)61(40-33-34-45-43-19-5-4-17-41(43)42-18-6-7-20-44(42)51(45)35-40)38-29-31-39(32-30-38)62-52-26-11-8-22-48(52)57-53(62)36-55-58(49-23-9-12-27-54(49)63-55)59(57)50-25-14-24-47-46-21-10-13-28-56(46)64-60(47)50/h1-36H
InChIKeyROJICRGLAMEIEZ-UHFFFAOYSA-N
XLogP17.65
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.03
LogP ≤ 517.65
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

N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 170369238
N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 170368958
4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)-N,N-diphenylaniline
CID 170368945
N-dibenzothiophen-3-yl-N,12-diphenyl-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-9-amine
CID 170377101
N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 170368951
N-[4-(11,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 170370037
N-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 170369705
N-(5-dibenzofuran-1-ylnaphthalen-1-yl)-N-dibenzothiophen-4-yl-9-phenylcarbazol-2-amine
CID 168814345
N-(4-carbazol-9-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 177079934
4-[6-(4-carbazol-9-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 89492129
N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 170369228
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814676

Frequently Asked Questions

What is the IUPAC name of N-[4-(12-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyltriphenylen-2-amine?
The IUPAC name of N-[4-(12-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyltriphenylen-2-amine (CID 170369049) is N-[4-(12-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyltriphenylen-2-amine.
What is the SMILES notation for N-[4-(12-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyltriphenylen-2-amine?
The canonical SMILES for N-[4-(12-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyltriphenylen-2-amine is c1ccc(N(c2ccc(-n3c4ccccc4c4c(-c5cccc6c5sc5ccccc56)c5c(cc43)oc3ccccc35)cc2)c2ccc3c4ccccc4c4ccccc4c3c2)cc1.
What is the InChIKey of N-[4-(12-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyltriphenylen-2-amine?
The InChIKey is ROJICRGLAMEIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2OS/c1-2-15-37(16-3-1)61(40-33-34-45-43-19-5-4-17-41(43)42-18-6-7-20-44(42)51(45)35-40)38-29-31-39(32-30-38)62-52-26-11-8-22-48(52)57-53(62)36-55-58(49-23-9-12-27-54(49)63-55)59(57)50-25-14-24-47-46-21-10-13-28-56(46)64-60(47)50/h1-36H.
What are the key properties of N-[4-(12-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyltriphenylen-2-amine?
N-[4-(12-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyltriphenylen-2-amine has a molecular weight of 833.03 g/mol, XLogP of 17.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(12-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyltriphenylen-2-amine is sourced from PubChem (CID 170369049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).