N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

C58H36N2O2 — CID 171738743

IUPACN-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc(N(c5cccc(-c6ccc7oc8ccccc8c7c6)c5)c5cccc6oc7c8ccccc8ccc7c56)c4)cccc32)cc1
InChIInChI=1S/C58H36N2O2/c1-2-17-41(18-3-1)60-50-25-8-6-23-47(50)56-44(24-12-26-51(56)60)40-16-11-20-43(35-40)59(52-27-13-29-55-57(52)48-32-30-37-14-4-5-21-45(37)58(48)62-55)42-19-10-15-38(34-42)39-31-33-54-49(36-39)46-22-7-9-28-53(46)61-54/h1-36H
InChIKeyDJHJVOMTIBDQCM-UHFFFAOYSA-N
MW792.94 g/mol
LogP16.54
Rot. Bonds6

About N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171738743) has the molecular formula C58H36N2O2 and a molecular weight of 792.94 g/mol. Its IUPAC name is N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171738743
Molecular FormulaC58H36N2O2
Molecular Weight792.94 g/mol
Exact Mass792.28
IUPAC NameN-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc(N(c5cccc(-c6ccc7oc8ccccc8c7c6)c5)c5cccc6oc7c8ccccc8ccc7c56)c4)cccc32)cc1
InChIInChI=1S/C58H36N2O2/c1-2-17-41(18-3-1)60-50-25-8-6-23-47(50)56-44(24-12-26-51(56)60)40-16-11-20-43(35-40)59(52-27-13-29-55-57(52)48-32-30-37-14-4-5-21-45(37)58(48)62-55)42-19-10-15-38(34-42)39-31-33-54-49(36-39)46-22-7-9-28-53(46)61-54/h1-36H
InChIKeyDJHJVOMTIBDQCM-UHFFFAOYSA-N
XLogP16.54
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.94
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737568
N-(3-dibenzothiophen-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739309
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737943
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737415
N-(3-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
CID 169283939
N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739037
N-(3-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine
CID 171737636
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272106
N-(3-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 167330599
N-(3-dibenzothiophen-1-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737389
N-dibenzofuran-4-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738551
N-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737618

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 171738743) is N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-n2c3ccccc3c3c(-c4cccc(N(c5cccc(-c6ccc7oc8ccccc8c7c6)c5)c5cccc6oc7c8ccccc8ccc7c56)c4)cccc32)cc1.
What is the InChIKey of N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is DJHJVOMTIBDQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2O2/c1-2-17-41(18-3-1)60-50-25-8-6-23-47(50)56-44(24-12-26-51(56)60)40-16-11-20-43(35-40)59(52-27-13-29-55-57(52)48-32-30-37-14-4-5-21-45(37)58(48)62-55)42-19-10-15-38(34-42)39-31-33-54-49(36-39)46-22-7-9-28-53(46)61-54/h1-36H.
What are the key properties of N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 792.94 g/mol, XLogP of 16.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171738743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).