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

C62H40N2O — CID 171739169

IUPACN-[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
SMILES[2H]c1c([2H])c(N(c2c([2H])c([2H])c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c([2H])c2[2H])c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1cccc(-c2cccc3ccccc23)c1
InChIInChI=1S/C62H40N2O/c1-2-18-48(19-3-1)64-57-24-9-8-22-54(57)56-40-46(32-38-58(56)64)42-29-35-50(36-30-42)63(59-25-12-26-60-61(59)55-37-31-44-14-5-7-21-53(44)62(55)65-60)49-33-27-41(28-34-49)45-16-10-17-47(39-45)52-23-11-15-43-13-4-6-20-51(43)52/h1-40H/i27D,28D,29D,30D,33D,34D,35D,36D
InChIKeyXHRHUQWJPACTHK-NGKNFPSBSA-N
MW837.06 g/mol
LogP17.46
Rot. Bonds7

About 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

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 (PubChem CID 171739169) has the molecular formula C62H40N2O and a molecular weight of 837.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID171739169
Molecular FormulaC62H40N2O
Molecular Weight837.06 g/mol
Exact Mass836.36
IUPAC NameN-[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
SMILES[2H]c1c([2H])c(N(c2c([2H])c([2H])c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c([2H])c2[2H])c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1cccc(-c2cccc3ccccc23)c1
InChIInChI=1S/C62H40N2O/c1-2-18-48(19-3-1)64-57-24-9-8-22-54(57)56-40-46(32-38-58(56)64)42-29-35-50(36-30-42)63(59-25-12-26-60-61(59)55-37-31-44-14-5-7-21-53(44)62(55)65-60)49-33-27-41(28-34-49)45-16-10-17-47(39-45)52-23-11-15-43-13-4-6-20-51(43)52/h1-40H/i27D,28D,29D,30D,33D,34D,35D,36D
InChIKeyXHRHUQWJPACTHK-NGKNFPSBSA-N
XLogP17.46
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.06
LogP ≤ 517.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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-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-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-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737613
N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738621
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737296
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-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738262
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-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine
CID 171737636
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c(N(c2c([2H])c([2H])c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c([2H])c2[2H])c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1cccc(-c2cccc3ccccc23)c1.
What is the InChIKey of 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?
The InChIKey is XHRHUQWJPACTHK-NGKNFPSBSA-N. The full InChI is InChI=1S/C62H40N2O/c1-2-18-48(19-3-1)64-57-24-9-8-22-54(57)56-40-46(32-38-58(56)64)42-29-35-50(36-30-42)63(59-25-12-26-60-61(59)55-37-31-44-14-5-7-21-53(44)62(55)65-60)49-33-27-41(28-34-49)45-16-10-17-47(39-45)52-23-11-15-43-13-4-6-20-51(43)52/h1-40H/i27D,28D,29D,30D,33D,34D,35D,36D.
What are the key properties of 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?
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 has a molecular weight of 837.06 g/mol, XLogP of 17.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171739169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).