N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

C56H36N2O — CID 171738220

IUPACN-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILES[2H]c1c([2H])c(N(c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc2)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1ccc2ccccc2c1
InChIInChI=1S/C56H36N2O/c1-2-15-43(16-3-1)58-50-20-9-8-18-48(50)54-46(19-10-21-51(54)58)40-28-33-45(34-29-40)57(44-31-26-38(27-32-44)42-25-24-37-12-4-5-14-41(37)36-42)52-22-11-23-53-55(52)49-35-30-39-13-6-7-17-47(39)56(49)59-53/h1-36H/i26D,27D,31D,32D
InChIKeyOSPRXLSWGAORRV-DHADARJPSA-N
MW756.94 g/mol
LogP15.79
Rot. Bonds6

About N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171738220) has the molecular formula C56H36N2O and a molecular weight of 756.94 g/mol. Its IUPAC name is N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171738220
Molecular FormulaC56H36N2O
Molecular Weight756.94 g/mol
Exact Mass756.31
IUPAC NameN-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILES[2H]c1c([2H])c(N(c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc2)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1ccc2ccccc2c1
InChIInChI=1S/C56H36N2O/c1-2-15-43(16-3-1)58-50-20-9-8-18-48(50)54-46(19-10-21-51(54)58)40-28-33-45(34-29-40)57(44-31-26-38(27-32-44)42-25-24-37-12-4-5-14-41(37)36-42)52-22-11-23-53-55(52)49-35-30-39-13-6-7-17-47(39)56(49)59-53/h1-36H/i26D,27D,31D,32D
InChIKeyOSPRXLSWGAORRV-DHADARJPSA-N
XLogP15.79
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.94
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine with MolForge

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Related Compounds

N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738232
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739231
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-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737957
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738223
N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737680
N-(4-carbazol-9-yl-2,3,5,6-tetradeuteriophenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739595
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738968
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738692
N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739407
N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738078

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 171738220) is N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is [2H]c1c([2H])c(N(c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc2)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1ccc2ccccc2c1.
What is the InChIKey of N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is OSPRXLSWGAORRV-DHADARJPSA-N. The full InChI is InChI=1S/C56H36N2O/c1-2-15-43(16-3-1)58-50-20-9-8-18-48(50)54-46(19-10-21-51(54)58)40-28-33-45(34-29-40)57(44-31-26-38(27-32-44)42-25-24-37-12-4-5-14-41(37)36-42)52-22-11-23-53-55(52)49-35-30-39-13-6-7-17-47(39)56(49)59-53/h1-36H/i26D,27D,31D,32D.
What are the key properties of N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 756.94 g/mol, XLogP of 15.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171738220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).