N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-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

C58H38N2O — CID 171739470

IUPACN-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-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
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4c([2H])c([2H])c(-c5ccccc5-n5c6ccccc6c6ccccc65)c([2H])c4[2H])c4cccc5oc6c7ccccc7ccc6c45)c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C58H38N2O/c1-2-13-39(14-3-1)40-25-27-41(28-26-40)42-29-34-45(35-30-42)59(55-23-12-24-56-57(55)51-38-33-43-15-4-5-17-48(43)58(51)61-56)46-36-31-44(32-37-46)47-16-6-9-20-52(47)60-53-21-10-7-18-49(53)50-19-8-11-22-54(50)60/h1-38H/i1D,2D,3D,13D,14D,25D,26D,27D,28D,29D,30D,31D,32D,34D,35D,36D,37D
InChIKeyYGFOWNULSGZCDN-VTZBRLQGSA-N
MW796.06 g/mol
LogP16.31
Rot. Bonds7

About N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-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

N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-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 (PubChem CID 171739470) has the molecular formula C58H38N2O and a molecular weight of 796.06 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-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.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-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
PubChem CID171739470
Molecular FormulaC58H38N2O
Molecular Weight796.06 g/mol
Exact Mass795.41
IUPAC NameN-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-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
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4c([2H])c([2H])c(-c5ccccc5-n5c6ccccc6c6ccccc65)c([2H])c4[2H])c4cccc5oc6c7ccccc7ccc6c45)c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C58H38N2O/c1-2-13-39(14-3-1)40-25-27-41(28-26-40)42-29-34-45(35-30-42)59(55-23-12-24-56-57(55)51-38-33-43-15-4-5-17-48(43)58(51)61-56)46-36-31-44(32-37-46)47-16-6-9-20-52(47)60-53-21-10-7-18-49(53)50-19-8-11-22-54(50)60/h1-38H/i1D,2D,3D,13D,14D,25D,26D,27D,28D,29D,30D,31D,32D,34D,35D,36D,37D
InChIKeyYGFOWNULSGZCDN-VTZBRLQGSA-N
XLogP16.31
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.06
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-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 with MolForge

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Related Compounds

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
N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738946
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-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738043
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739680
N-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738262
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-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-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739169
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-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737415

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-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?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-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 171739470) is N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-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.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-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?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-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 is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4c([2H])c([2H])c(-c5ccccc5-n5c6ccccc6c6ccccc65)c([2H])c4[2H])c4cccc5oc6c7ccccc7ccc6c45)c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-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?
The InChIKey is YGFOWNULSGZCDN-VTZBRLQGSA-N. The full InChI is InChI=1S/C58H38N2O/c1-2-13-39(14-3-1)40-25-27-41(28-26-40)42-29-34-45(35-30-42)59(55-23-12-24-56-57(55)51-38-33-43-15-4-5-17-48(43)58(51)61-56)46-36-31-44(32-37-46)47-16-6-9-20-52(47)60-53-21-10-7-18-49(53)50-19-8-11-22-54(50)60/h1-38H/i1D,2D,3D,13D,14D,25D,26D,27D,28D,29D,30D,31D,32D,34D,35D,36D,37D.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-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?
N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-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 has a molecular weight of 796.06 g/mol, XLogP of 16.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-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 is sourced from PubChem (CID 171739470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).