N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine

C62H40N2O — CID 170665916

IUPACN-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4ccccc4N(c4ccc5ccccc5c4)c4cccc(-c5cccc6c5oc5ccccc56)c4-c4ccc5ccccc5c4)c32)cc1
InChIInChI=1S/C62H40N2O/c1-2-21-46(22-3-1)64-57-32-12-9-24-49(57)53-28-14-27-52(61(53)64)48-23-8-11-31-56(48)63(47-38-37-42-18-5-7-20-44(42)40-47)58-33-16-26-51(60(58)45-36-35-41-17-4-6-19-43(41)39-45)55-30-15-29-54-50-25-10-13-34-59(50)65-62(54)55/h1-40H
InChIKeyQJODKAUZAVJKRB-UHFFFAOYSA-N
MW829.02 g/mol
LogP17.46
Rot. Bonds7

About N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine

N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine (PubChem CID 170665916) has the molecular formula C62H40N2O and a molecular weight of 829.02 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine
PubChem CID170665916
Molecular FormulaC62H40N2O
Molecular Weight829.02 g/mol
Exact Mass828.31
IUPAC NameN-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4ccccc4N(c4ccc5ccccc5c4)c4cccc(-c5cccc6c5oc5ccccc56)c4-c4ccc5ccccc5c4)c32)cc1
InChIInChI=1S/C62H40N2O/c1-2-21-46(22-3-1)64-57-32-12-9-24-49(57)53-28-14-27-52(61(53)64)48-23-8-11-31-56(48)63(47-38-37-42-18-5-7-20-44(42)40-47)58-33-16-26-51(60(58)45-36-35-41-17-4-6-19-43(41)39-45)55-30-15-29-54-50-25-10-13-34-59(50)65-62(54)55/h1-40H
InChIKeyQJODKAUZAVJKRB-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-(2-dibenzofuran-4-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298442
N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-N-(3-naphthalen-2-ylphenyl)aniline
CID 167324791
4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine
CID 176608218
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 139544828
N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-(2-phenanthren-2-ylphenyl)dibenzofuran-3-amine
CID 170666032
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168788477
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 164790749
N-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121443649
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 139545256
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164790797
N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-2-amine;N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine
CID 165064934
N-[2-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridin-1-amine
CID 170177231

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine?
The IUPAC name of N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine (CID 170665916) is N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine is c1ccc(-n2c3ccccc3c3cccc(-c4ccccc4N(c4ccc5ccccc5c4)c4cccc(-c5cccc6c5oc5ccccc56)c4-c4ccc5ccccc5c4)c32)cc1.
What is the InChIKey of N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine?
The InChIKey is QJODKAUZAVJKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2O/c1-2-21-46(22-3-1)64-57-32-12-9-24-49(57)53-28-14-27-52(61(53)64)48-23-8-11-31-56(48)63(47-38-37-42-18-5-7-20-44(42)40-47)58-33-16-26-51(60(58)45-36-35-41-17-4-6-19-43(41)39-45)55-30-15-29-54-50-25-10-13-34-59(50)65-62(54)55/h1-40H.
What are the key properties of N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine?
N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine 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-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 170665916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).