N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine

C58H38N2O — CID 155398542

IUPACN-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine
SMILESC1=CC=C2C=C(C=CC2=C1)N(C3=CC=C(C=C3)C4=CC=CC(=C4)C5=CC=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C9=CC=CC=C9C1=C2C3=CC=CC=C3OC2=CC=C1
InChIInChI=1S/C58H38N2O/c1-2-14-44-38-47(36-31-39(44)13-1)59(53-22-7-5-19-50(53)51-21-12-26-57-58(51)52-20-6-10-25-56(52)61-57)45-32-27-40(28-33-45)42-15-11-16-43(37-42)41-29-34-46(35-30-41)60-54-23-8-3-17-48(54)49-18-4-9-24-55(49)60/h1-38H
InChIKeyPUYKUEGDUKHBRK-UHFFFAOYSA-N
MW778.90 g/mol
LogP16.10
Rot. Bonds7

About N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine

N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine (PubChem CID 155398542) has the molecular formula C58H38N2O and a molecular weight of 778.90 g/mol. Its IUPAC name is N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine
PubChem CID155398542
Molecular FormulaC58H38N2O
Molecular Weight778.90 g/mol
Exact Mass778.30
IUPAC NameN-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine
SMILESC1=CC=C2C=C(C=CC2=C1)N(C3=CC=C(C=C3)C4=CC=CC(=C4)C5=CC=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C9=CC=CC=C9C1=C2C3=CC=CC=C3OC2=CC=C1
InChIInChI=1S/C58H38N2O/c1-2-14-44-38-47(36-31-39(44)13-1)59(53-22-7-5-19-50(53)51-21-12-26-57-58(51)52-20-6-10-25-56(52)61-57)45-32-27-40(28-33-45)42-15-11-16-43(37-42)41-29-34-46(35-30-41)60-54-23-8-3-17-48(54)49-18-4-9-24-55(49)60/h1-38H
InChIKeyPUYKUEGDUKHBRK-UHFFFAOYSA-N
XLogP16.10
TPSA21.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity1390

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.90
LogP ≤ 516.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine (CID 155398542) is N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine is C1=CC=C2C=C(C=CC2=C1)N(C3=CC=C(C=C3)C4=CC=CC(=C4)C5=CC=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C9=CC=CC=C9C1=C2C3=CC=CC=C3OC2=CC=C1.
What is the InChIKey of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine?
The InChIKey is PUYKUEGDUKHBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-2-14-44-38-47(36-31-39(44)13-1)59(53-22-7-5-19-50(53)51-21-12-26-57-58(51)52-20-6-10-25-56(52)61-57)45-32-27-40(28-33-45)42-15-11-16-43(37-42)41-29-34-46(35-30-41)60-54-23-8-3-17-48(54)49-18-4-9-24-55(49)60/h1-38H.
What are the key properties of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine?
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine has a molecular weight of 778.90 g/mol, XLogP of 16.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine is sourced from PubChem (CID 155398542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).