N-dibenzofuran-2-yl-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine

C58H37N3O — CID 129092370

IUPACN-dibenzofuran-2-yl-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine
SMILESc1ccc(N2c3ccccc3-c3ccc(-c4ccc(N(c5ccc6oc7ccccc7c6c5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c4cccc2c34)cc1
InChIInChI=1S/C58H37N3O/c1-3-14-39(15-4-1)60-53-23-11-8-19-46(53)50-36-42(30-34-54(50)60)59(43-31-35-57-51(37-43)47-20-9-12-25-56(47)62-57)41-28-26-38(27-29-41)44-32-33-49-45-18-7-10-22-52(45)61(40-16-5-2-6-17-40)55-24-13-21-48(44)58(49)55/h1-37H
InChIKeyVTERZXMEPRYYEA-UHFFFAOYSA-N
MW791.95 g/mol
LogP16.42
Rot. Bonds6

About N-dibenzofuran-2-yl-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine

N-dibenzofuran-2-yl-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine (PubChem CID 129092370) has the molecular formula C58H37N3O and a molecular weight of 791.95 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine
PubChem CID129092370
Molecular FormulaC58H37N3O
Molecular Weight791.95 g/mol
Exact Mass791.29
IUPAC NameN-dibenzofuran-2-yl-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine
SMILESc1ccc(N2c3ccccc3-c3ccc(-c4ccc(N(c5ccc6oc7ccccc7c6c5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c4cccc2c34)cc1
InChIInChI=1S/C58H37N3O/c1-3-14-39(15-4-1)60-53-23-11-8-19-46(53)50-36-42(30-34-54(50)60)59(43-31-35-57-51(37-43)47-20-9-12-25-56(47)62-57)41-28-26-38(27-29-41)44-32-33-49-45-18-7-10-22-52(45)61(40-16-5-2-6-17-40)55-24-13-21-48(44)58(49)55/h1-37H
InChIKeyVTERZXMEPRYYEA-UHFFFAOYSA-N
XLogP16.42
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.95
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-dibenzofuran-2-yl-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine?
The IUPAC name of N-dibenzofuran-2-yl-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine (CID 129092370) is N-dibenzofuran-2-yl-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine?
The canonical SMILES for N-dibenzofuran-2-yl-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine is c1ccc(N2c3ccccc3-c3ccc(-c4ccc(N(c5ccc6oc7ccccc7c6c5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c4cccc2c34)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine?
The InChIKey is VTERZXMEPRYYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3O/c1-3-14-39(15-4-1)60-53-23-11-8-19-46(53)50-36-42(30-34-54(50)60)59(43-31-35-57-51(37-43)47-20-9-12-25-56(47)62-57)41-28-26-38(27-29-41)44-32-33-49-45-18-7-10-22-52(45)61(40-16-5-2-6-17-40)55-24-13-21-48(44)58(49)55/h1-37H.
What are the key properties of N-dibenzofuran-2-yl-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine?
N-dibenzofuran-2-yl-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine has a molecular weight of 791.95 g/mol, XLogP of 16.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 129092370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).