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

C62H40N2O — CID 168847918

IUPAC4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-c6cccc7ccccc67)c6oc7ccccc7c56)cc4)cccc32)cc1
InChIInChI=1S/C62H40N2O/c1-2-19-45(20-3-1)64-56-28-10-8-23-54(56)60-51(26-14-29-57(60)64)44-33-37-47(38-34-44)63(46-35-31-43(32-36-46)49-25-12-17-41-15-4-6-21-48(41)49)58-40-39-53(52-27-13-18-42-16-5-7-22-50(42)52)62-61(58)55-24-9-11-30-59(55)65-62/h1-40H
InChIKeyYTLXDLSUIJYTRL-UHFFFAOYSA-N
MW829.02 g/mol
LogP17.46
Rot. Bonds7

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

4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine (PubChem CID 168847918) has the molecular formula C62H40N2O and a molecular weight of 829.02 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine
PubChem CID168847918
Molecular FormulaC62H40N2O
Molecular Weight829.02 g/mol
Exact Mass828.31
IUPAC Name4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-c6cccc7ccccc67)c6oc7ccccc7c56)cc4)cccc32)cc1
InChIInChI=1S/C62H40N2O/c1-2-19-45(20-3-1)64-56-28-10-8-23-54(56)60-51(26-14-29-57(60)64)44-33-37-47(38-34-44)63(46-35-31-43(32-36-46)49-25-12-17-41-15-4-6-21-48(41)49)58-40-39-53(52-27-13-18-42-16-5-7-22-50(42)52)62-61(58)55-24-9-11-30-59(55)65-62/h1-40H
InChIKeyYTLXDLSUIJYTRL-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-naphthalen-1-yldibenzofuran-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-4-yl)dibenzofuran-1-amine
CID 168847740
4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(9-phenylcarbazol-4-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848073
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine
CID 168847677
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176609708
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)naphthalen-1-yl]dibenzofuran-1-amine
CID 168848110
4-naphthalen-1-yl-N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine
CID 176820492
4-(2-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176608439
4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848086
4-(3-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176609990
N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-phenanthren-2-yl-9-phenylcarbazol-2-amine
CID 176820503
4-(3-carbazol-9-ylphenyl)-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176608070
4-(4-carbazol-9-ylphenyl)-N,N-diphenyldibenzofuran-1-amine
CID 176608271

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine (CID 168847918) is 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine is c1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-c6cccc7ccccc67)c6oc7ccccc7c56)cc4)cccc32)cc1.
What is the InChIKey of 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is YTLXDLSUIJYTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2O/c1-2-19-45(20-3-1)64-56-28-10-8-23-54(56)60-51(26-14-29-57(60)64)44-33-37-47(38-34-44)63(46-35-31-43(32-36-46)49-25-12-17-41-15-4-6-21-48(41)49)58-40-39-53(52-27-13-18-42-16-5-7-22-50(42)52)62-61(58)55-24-9-11-30-59(55)65-62/h1-40H.
What are the key properties of 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine?
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-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 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 168847918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).