N-naphthalen-1-yl-N-[3-(9-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-2-yl)phenyl]naphthalen-1-amine

C54H34N2O — CID 118349365

IUPACN-naphthalen-1-yl-N-[3-(9-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-2-yl)phenyl]naphthalen-1-amine
SMILESc1cc(-c2ccc3c4ccccc4n(-c4ccc5oc6ccc7ccccc7c6c5c4)c3c2)cc(N(c2cccc3ccccc23)c2cccc3ccccc23)c1
InChIInChI=1S/C54H34N2O/c1-4-19-42-35(12-1)15-10-24-48(42)55(49-25-11-16-36-13-2-5-20-43(36)49)40-18-9-17-38(32-40)39-26-29-46-45-22-7-8-23-50(45)56(51(46)33-39)41-28-31-52-47(34-41)54-44-21-6-3-14-37(44)27-30-53(54)57-52/h1-34H
InChIKeyBXZWHLJMYGQXPS-UHFFFAOYSA-N
MW726.88 g/mol
LogP15.28
Rot. Bonds5

About N-naphthalen-1-yl-N-[3-(9-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-2-yl)phenyl]naphthalen-1-amine

N-naphthalen-1-yl-N-[3-(9-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-2-yl)phenyl]naphthalen-1-amine (PubChem CID 118349365) has the molecular formula C54H34N2O and a molecular weight of 726.88 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[3-(9-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-2-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[3-(9-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-2-yl)phenyl]naphthalen-1-amine
PubChem CID118349365
Molecular FormulaC54H34N2O
Molecular Weight726.88 g/mol
Exact Mass726.27
IUPAC NameN-naphthalen-1-yl-N-[3-(9-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-2-yl)phenyl]naphthalen-1-amine
SMILESc1cc(-c2ccc3c4ccccc4n(-c4ccc5oc6ccc7ccccc7c6c5c4)c3c2)cc(N(c2cccc3ccccc23)c2cccc3ccccc23)c1
InChIInChI=1S/C54H34N2O/c1-4-19-42-35(12-1)15-10-24-48(42)55(49-25-11-16-36-13-2-5-20-43(36)49)40-18-9-17-38(32-40)39-26-29-46-45-22-7-8-23-50(45)56(51(46)33-39)41-28-31-52-47(34-41)54-44-21-6-3-14-37(44)27-30-53(54)57-52/h1-34H
InChIKeyBXZWHLJMYGQXPS-UHFFFAOYSA-N
XLogP15.28
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(9-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90321282
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)naphthalen-1-amine
CID 153314840
N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 129085108
N-(3-carbazol-9-ylphenyl)-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]naphthalen-1-amine
CID 148923282
N-[4-[2-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
CID 118337766
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine
CID 58510838
9-dibenzofuran-2-yl-N-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 118333380
3-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795911
N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(3-phenanthren-2-ylphenyl)aniline
CID 155398314
N-naphthalen-1-yl-N-[3-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine
CID 126627950
N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-naphthalen-1-ylaniline
CID 153314589
2-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170298543

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[3-(9-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-2-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-naphthalen-1-yl-N-[3-(9-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-2-yl)phenyl]naphthalen-1-amine (CID 118349365) is N-naphthalen-1-yl-N-[3-(9-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-2-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-[3-(9-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-2-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-naphthalen-1-yl-N-[3-(9-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-2-yl)phenyl]naphthalen-1-amine is c1cc(-c2ccc3c4ccccc4n(-c4ccc5oc6ccc7ccccc7c6c5c4)c3c2)cc(N(c2cccc3ccccc23)c2cccc3ccccc23)c1.
What is the InChIKey of N-naphthalen-1-yl-N-[3-(9-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-2-yl)phenyl]naphthalen-1-amine?
The InChIKey is BXZWHLJMYGQXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O/c1-4-19-42-35(12-1)15-10-24-48(42)55(49-25-11-16-36-13-2-5-20-43(36)49)40-18-9-17-38(32-40)39-26-29-46-45-22-7-8-23-50(45)56(51(46)33-39)41-28-31-52-47(34-41)54-44-21-6-3-14-37(44)27-30-53(54)57-52/h1-34H.
What are the key properties of N-naphthalen-1-yl-N-[3-(9-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-2-yl)phenyl]naphthalen-1-amine?
N-naphthalen-1-yl-N-[3-(9-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-2-yl)phenyl]naphthalen-1-amine has a molecular weight of 726.88 g/mol, XLogP of 15.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-[3-(9-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-2-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 118349365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).