N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline

C62H40N2O — CID 166939681

IUPACN-[4-(2-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2cccc(-c3cccc4oc5c6ccccc6ccc5c34)c2)c1
InChIInChI=1S/C62H40N2O/c1-2-16-44-38-46(31-30-41(44)14-1)45-17-11-19-49(39-45)63(50-20-12-18-47(40-50)52-25-13-29-60-61(52)56-37-34-42-15-3-4-22-53(42)62(56)65-60)48-35-32-43(33-36-48)51-21-5-8-26-57(51)64-58-27-9-6-23-54(58)55-24-7-10-28-59(55)64/h1-40H
InChIKeyVNDLKAMGYLCYQG-UHFFFAOYSA-N
MW829.02 g/mol
LogP17.46
Rot. Bonds7

About N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline

N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline (PubChem CID 166939681) has the molecular formula C62H40N2O and a molecular weight of 829.02 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
PubChem CID166939681
Molecular FormulaC62H40N2O
Molecular Weight829.02 g/mol
Exact Mass828.31
IUPAC NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2cccc(-c3cccc4oc5c6ccccc6ccc5c34)c2)c1
InChIInChI=1S/C62H40N2O/c1-2-16-44-38-46(31-30-41(44)14-1)45-17-11-19-49(39-45)63(50-20-12-18-47(40-50)52-25-13-29-60-61(52)56-37-34-42-15-3-4-22-53(42)62(56)65-60)48-35-32-43(33-36-48)51-21-5-8-26-57(51)64-58-27-9-6-23-54(58)55-24-7-10-28-59(55)64/h1-40H
InChIKeyVNDLKAMGYLCYQG-UHFFFAOYSA-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 ≤ 500829.02
LogP ≤ 517.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 166939403
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739680
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine
CID 155398702
N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167331207
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
CID 167331264
N-(4-dibenzofuran-4-ylphenyl)-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 167330309
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 163860911
N-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-2-amine
CID 139545045
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 166939002
N-[4-[2-[2-[5-[4-[4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]naphthalen-2-yl]carbazol-9-yl]phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-naphthalen-2-ylaniline
CID 155398691
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)phenanthren-3-amine
CID 174276936
N-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-3-phenanthren-2-ylaniline
CID 139544384

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline (CID 166939681) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline is c1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2cccc(-c3cccc4oc5c6ccccc6ccc5c34)c2)c1.
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline?
The InChIKey is VNDLKAMGYLCYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2O/c1-2-16-44-38-46(31-30-41(44)14-1)45-17-11-19-49(39-45)63(50-20-12-18-47(40-50)52-25-13-29-60-61(52)56-37-34-42-15-3-4-22-53(42)62(56)65-60)48-35-32-43(33-36-48)51-21-5-8-26-57(51)64-58-27-9-6-23-54(58)55-24-7-10-28-59(55)64/h1-40H.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline?
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline has a molecular weight of 829.02 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-[4-(2-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline is sourced from PubChem (CID 166939681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).