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

C56H36N2O — CID 58510953

IUPACN-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-4-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6c5oc5ccccc56)c5ccccc45)ccc32)cc1
InChIInChI=1S/C56H36N2O/c1-2-16-40(17-3-1)57-51-25-10-8-21-47(51)50-36-39(30-34-53(50)57)44-33-35-52(46-20-7-6-19-45(44)46)58(54-26-13-24-49-48-22-9-11-27-55(48)59-56(49)54)41-31-28-38(29-32-41)43-23-12-15-37-14-4-5-18-42(37)43/h1-36H
InChIKeyHQSLNXGBBSKIEW-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.79
Rot. Bonds6

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

N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-4-amine (PubChem CID 58510953) 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-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-4-amine
PubChem CID58510953
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-4-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6c5oc5ccccc56)c5ccccc45)ccc32)cc1
InChIInChI=1S/C56H36N2O/c1-2-16-40(17-3-1)57-51-25-10-8-21-47(51)50-36-39(30-34-53(50)57)44-33-35-52(46-20-7-6-19-45(44)46)58(54-26-13-24-49-48-22-9-11-27-55(48)59-56(49)54)41-31-28-38(29-32-41)43-23-12-15-37-14-4-5-18-42(37)43/h1-36H
InChIKeyHQSLNXGBBSKIEW-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-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine
CID 58510678
4-(3-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176609990
N-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402344
4-(3-carbazol-9-ylphenyl)-N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine
CID 176609625
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577267
N-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737323
N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
CID 166997166
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline;N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]naphthalen-1-amine
CID 158555584
N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine
CID 170138972
N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-1-amine
CID 167278181
N-dibenzofuran-4-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738551
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176609708

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-4-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-4-amine (CID 58510953) is N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-4-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-4-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-4-amine is c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6c5oc5ccccc56)c5ccccc45)ccc32)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-4-amine?
The InChIKey is HQSLNXGBBSKIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-2-16-40(17-3-1)57-51-25-10-8-21-47(51)50-36-39(30-34-53(50)57)44-33-35-52(46-20-7-6-19-45(44)46)58(54-26-13-24-49-48-22-9-11-27-55(48)59-56(49)54)41-31-28-38(29-32-41)43-23-12-15-37-14-4-5-18-42(37)43/h1-36H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-4-amine?
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]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-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-4-amine is sourced from PubChem (CID 58510953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).