4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine

C56H36N2O — CID 135164574

IUPAC4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C56H36N2O/c1-2-14-42(15-3-1)57(43-28-24-38(25-29-43)41-23-22-37-12-4-5-13-40(37)36-41)52-34-32-45(46-16-6-7-17-47(46)52)39-26-30-44(31-27-39)58-51-20-10-8-19-50(51)55-53(58)35-33-49-48-18-9-11-21-54(48)59-56(49)55/h1-36H
InChIKeyMFNRIDCNDTWIBV-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.79
Rot. Bonds6

About 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine

4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine (PubChem CID 135164574) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound Name4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine
PubChem CID135164574
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC Name4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C56H36N2O/c1-2-14-42(15-3-1)57(43-28-24-38(25-29-43)41-23-22-37-12-4-5-13-40(37)36-41)52-34-32-45(46-16-6-7-17-47(46)52)39-26-30-44(31-27-39)58-51-20-10-8-19-50(51)55-53(58)35-33-49-48-18-9-11-21-54(48)59-56(49)55/h1-36H
InChIKeyMFNRIDCNDTWIBV-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-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N,4-diphenylaniline
CID 130230934
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine
CID 168847677
4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609511
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-yl-5-phenylphenyl)dibenzofuran-4-amine
CID 121329721
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)naphthalen-1-yl]dibenzofuran-1-amine
CID 168848110
N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118405432
N,N-diphenyl-5-[4-(N-[3-(4-phenylphenyl)phenyl]anilino)phenyl]-[1]benzofuro[2,3-g]carbazol-3-amine
CID 90050679
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzofuran-1-amine
CID 176608048
N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 118405677
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118502718
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 170926661
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138

Frequently Asked Questions

What is the IUPAC name of 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine?
The IUPAC name of 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine (CID 135164574) is 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine.
What is the SMILES notation for 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine?
The canonical SMILES for 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine is c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine?
The InChIKey is MFNRIDCNDTWIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-2-14-42(15-3-1)57(43-28-24-38(25-29-43)41-23-22-37-12-4-5-13-40(37)36-41)52-34-32-45(46-16-6-7-17-47(46)52)39-26-30-44(31-27-39)58-51-20-10-8-19-50(51)55-53(58)35-33-49-48-18-9-11-21-54(48)59-56(49)55/h1-36H.
What are the key properties of 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine?
4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-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 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 135164574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).