N-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

C52H32N2O2 — CID 171737323

IUPACN-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5cccc6c5oc5ccccc56)c5cccc6oc7c8ccccc8ccc7c56)cc4)ccc32)cc1
InChIInChI=1S/C52H32N2O2/c1-2-13-36(14-3-1)53-44-19-8-6-16-39(44)43-32-35(27-31-45(43)53)33-24-28-37(29-25-33)54(47-21-10-18-41-40-17-7-9-22-48(40)55-52(41)47)46-20-11-23-49-50(46)42-30-26-34-12-4-5-15-38(34)51(42)56-49/h1-32H
InChIKeyUFXVYPQXBWOKEV-UHFFFAOYSA-N
MW716.84 g/mol
LogP14.87
Rot. Bonds5

About N-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

N-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171737323) has the molecular formula C52H32N2O2 and a molecular weight of 716.84 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171737323
Molecular FormulaC52H32N2O2
Molecular Weight716.84 g/mol
Exact Mass716.25
IUPAC NameN-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5cccc6c5oc5ccccc56)c5cccc6oc7c8ccccc8ccc7c56)cc4)ccc32)cc1
InChIInChI=1S/C52H32N2O2/c1-2-13-36(14-3-1)53-44-19-8-6-16-39(44)43-32-35(27-31-45(43)53)33-24-28-37(29-25-33)54(47-21-10-18-41-40-17-7-9-22-48(40)55-52(41)47)46-20-11-23-49-50(46)42-30-26-34-12-4-5-15-38(34)51(42)56-49/h1-32H
InChIKeyUFXVYPQXBWOKEV-UHFFFAOYSA-N
XLogP14.87
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-4-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738551
N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-1-amine
CID 167278181
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272106
N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739037
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738867
N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168809606
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 167278254
N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 171737667
N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine
CID 170138972
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 167278199
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577267
N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738541

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 171737323) is N-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5cccc6c5oc5ccccc56)c5cccc6oc7c8ccccc8ccc7c56)cc4)ccc32)cc1.
What is the InChIKey of N-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is UFXVYPQXBWOKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O2/c1-2-13-36(14-3-1)53-44-19-8-6-16-39(44)43-32-35(27-31-45(43)53)33-24-28-37(29-25-33)54(47-21-10-18-41-40-17-7-9-22-48(40)55-52(41)47)46-20-11-23-49-50(46)42-30-26-34-12-4-5-15-38(34)51(42)56-49/h1-32H.
What are the key properties of N-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
N-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 716.84 g/mol, XLogP of 14.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171737323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).