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

C52H32N2O2 — CID 171738551

IUPACN-dibenzofuran-4-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(N(c5cccc6c5oc5ccccc56)c5cccc6oc7c8ccccc8ccc7c56)c4)ccc32)cc1
InChIInChI=1S/C52H32N2O2/c1-2-15-36(16-3-1)53-44-22-8-6-19-39(44)43-32-35(28-30-45(43)53)34-14-10-17-37(31-34)54(47-24-11-21-41-40-20-7-9-25-48(40)55-52(41)47)46-23-12-26-49-50(46)42-29-27-33-13-4-5-18-38(33)51(42)56-49/h1-32H
InChIKeyXYGGZJUROQAUGD-UHFFFAOYSA-N
MW716.84 g/mol
LogP14.87
Rot. Bonds5

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

N-dibenzofuran-4-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171738551) has the molecular formula C52H32N2O2 and a molecular weight of 716.84 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171738551
Molecular FormulaC52H32N2O2
Molecular Weight716.84 g/mol
Exact Mass716.25
IUPAC NameN-dibenzofuran-4-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(N(c5cccc6c5oc5ccccc56)c5cccc6oc7c8ccccc8ccc7c56)c4)ccc32)cc1
InChIInChI=1S/C52H32N2O2/c1-2-15-36(16-3-1)53-44-22-8-6-19-39(44)43-32-35(28-30-45(43)53)34-14-10-17-37(31-34)54(47-24-11-21-41-40-20-7-9-25-48(40)55-52(41)47)46-23-12-26-49-50(46)42-29-27-33-13-4-5-18-38(33)51(42)56-49/h1-32H
InChIKeyXYGGZJUROQAUGD-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-1-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739037
N-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737323
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272106
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-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738968
N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
CID 163555827
N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738743
N-(3-dibenzothiophen-1-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737389
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
CID 167331264
N-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737618
N-(3-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine
CID 171737636

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-dibenzofuran-4-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 171738551) is N-dibenzofuran-4-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-n2c3ccccc3c3cc(-c4cccc(N(c5cccc6c5oc5ccccc56)c5cccc6oc7c8ccccc8ccc7c56)c4)ccc32)cc1.
What is the InChIKey of N-dibenzofuran-4-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is XYGGZJUROQAUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O2/c1-2-15-36(16-3-1)53-44-22-8-6-19-39(44)43-32-35(28-30-45(43)53)34-14-10-17-37(31-34)54(47-24-11-21-41-40-20-7-9-25-48(40)55-52(41)47)46-23-12-26-49-50(46)42-29-27-33-13-4-5-18-38(33)51(42)56-49/h1-32H.
What are the key properties of N-dibenzofuran-4-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
N-dibenzofuran-4-yl-N-[3-(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-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171738551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).