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

C58H38N2O — CID 176796154

IUPAC5-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c5ccccc5c34)c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C58H38N2O/c1-4-15-39(16-5-1)41-27-31-44(32-28-41)59(45-33-29-42(30-34-45)40-17-6-2-7-18-40)46-35-36-51-55(37-46)61-56-38-52(47-21-10-11-22-48(47)58(51)56)49-24-14-26-54-57(49)50-23-12-13-25-53(50)60(54)43-19-8-3-9-20-43/h1-38H/i1D,4D,5D,15D,16D,27D,28D,31D,32D
InChIKeyGXNFAYCNLKYAGP-MUVXGNGJSA-N
MW788.01 g/mol
LogP16.31
Rot. Bonds7

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

5-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 176796154) has the molecular formula C58H38N2O and a molecular weight of 788.01 g/mol. Its IUPAC name is 5-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

Compound Name5-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine
PubChem CID176796154
Molecular FormulaC58H38N2O
Molecular Weight788.01 g/mol
Exact Mass787.35
IUPAC Name5-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c5ccccc5c34)c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C58H38N2O/c1-4-15-39(16-5-1)41-27-31-44(32-28-41)59(45-33-29-42(30-34-45)40-17-6-2-7-18-40)46-35-36-51-55(37-46)61-56-38-52(47-21-10-11-22-48(47)58(51)56)49-24-14-26-54-57(49)50-23-12-13-25-53(50)60(54)43-19-8-3-9-20-43/h1-38H/i1D,4D,5D,15D,16D,27D,28D,31D,32D
InChIKeyGXNFAYCNLKYAGP-MUVXGNGJSA-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 ≤ 500788.01
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

5-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 176795838
5-(9-phenylcarbazol-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 176765221
5-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795870
4-(3-carbazol-9-ylphenyl)-2,3,5,6-tetradeuterio-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 166581571
5-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795776
2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 165384298
9,9-dimethyl-N-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 176878064
10-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 176795708
N-(4-dibenzofuran-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010360
N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795770
N-naphthalen-2-yl-11-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176796141
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline
CID 166581636

Frequently Asked Questions

What is the IUPAC name of 5-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine?
The IUPAC name of 5-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine (CID 176796154) is 5-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine.
What is the SMILES notation for 5-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine?
The canonical SMILES for 5-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c5ccccc5c34)c([2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of 5-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine?
The InChIKey is GXNFAYCNLKYAGP-MUVXGNGJSA-N. The full InChI is InChI=1S/C58H38N2O/c1-4-15-39(16-5-1)41-27-31-44(32-28-41)59(45-33-29-42(30-34-45)40-17-6-2-7-18-40)46-35-36-51-55(37-46)61-56-38-52(47-21-10-11-22-48(47)58(51)56)49-24-14-26-54-57(49)50-23-12-13-25-53(50)60(54)43-19-8-3-9-20-43/h1-38H/i1D,4D,5D,15D,16D,27D,28D,31D,32D.
What are the key properties of 5-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine?
5-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine has a molecular weight of 788.01 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 5-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 176796154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).