N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine

C56H36N2O — CID 168781470

IUPACN-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-n2c3cc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6c5oc5ccccc56)cc4)ccc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C56H36N2O/c1-2-15-42(16-3-1)58-53-36-41(29-34-48(53)50-35-28-39-13-5-7-18-47(39)55(50)58)37-24-30-43(31-25-37)57(52-22-11-21-51-49-19-8-9-23-54(49)59-56(51)52)44-32-26-40(27-33-44)46-20-10-14-38-12-4-6-17-45(38)46/h1-36H
InChIKeyMZOROCMQSOGYFQ-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.79
Rot. Bonds6

About N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine

N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine (PubChem CID 168781470) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine
PubChem CID168781470
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-n2c3cc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6c5oc5ccccc56)cc4)ccc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C56H36N2O/c1-2-15-42(16-3-1)58-53-36-41(29-34-48(53)50-35-28-39-13-5-7-18-47(39)55(50)58)37-24-30-43(31-25-37)57(52-22-11-21-51-49-19-8-9-23-54(49)59-56(51)52)44-32-26-40(27-33-44)46-20-10-14-38-12-4-6-17-45(38)46/h1-36H
InChIKeyMZOROCMQSOGYFQ-UHFFFAOYSA-N
XLogP15.79
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.92
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-1-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine
CID 168782154
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-3-amine
CID 168781831
N-dibenzofuran-1-yl-6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-2-amine
CID 168781491
3-N,3-N-di(dibenzofuran-4-yl)-1-N,1-N-diphenyl-5-[11-(4-phenylphenyl)benzo[a]carbazol-9-yl]benzene-1,3-diamine
CID 135163558
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168781710
N-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168781636
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine
CID 58510678
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 168781459
N-naphthalen-2-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 168781501
N-(4-dibenzofuran-3-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168781725
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168781443
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 168781922

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine (CID 168781470) is N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine is c1ccc(-n2c3cc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6c5oc5ccccc56)cc4)ccc3c3ccc4ccccc4c32)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine?
The InChIKey is MZOROCMQSOGYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-2-15-42(16-3-1)58-53-36-41(29-34-48(53)50-35-28-39-13-5-7-18-47(39)55(50)58)37-24-30-43(31-25-37)57(52-22-11-21-51-49-19-8-9-23-54(49)59-56(51)52)44-32-26-40(27-33-44)46-20-10-14-38-12-4-6-17-45(38)46/h1-36H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine?
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine has a molecular weight of 752.92 g/mol, XLogP of 15.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 168781470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).