N-dibenzofuran-3-yl-N-[4-(7-phenylindolo[1,2-a]quinolin-6-yl)phenyl]dibenzofuran-3-amine

C52H32N2O2 — CID 146508978

IUPACN-dibenzofuran-3-yl-N-[4-(7-phenylindolo[1,2-a]quinolin-6-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2c3ccccc3n3c2c(-c2ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc2)cc2ccccc23)cc1
InChIInChI=1S/C52H32N2O2/c1-2-12-34(13-3-1)51-43-17-5-9-19-46(43)54-45-18-8-4-14-35(45)30-44(52(51)54)33-22-24-36(25-23-33)53(37-26-28-41-39-15-6-10-20-47(39)55-49(41)31-37)38-27-29-42-40-16-7-11-21-48(40)56-50(42)32-38/h1-32H
InChIKeyXDCZLXZMXUHOTL-UHFFFAOYSA-N
MW716.84 g/mol
LogP14.85
Rot. Bonds5

About N-dibenzofuran-3-yl-N-[4-(7-phenylindolo[1,2-a]quinolin-6-yl)phenyl]dibenzofuran-3-amine

N-dibenzofuran-3-yl-N-[4-(7-phenylindolo[1,2-a]quinolin-6-yl)phenyl]dibenzofuran-3-amine (PubChem CID 146508978) has the molecular formula C52H32N2O2 and a molecular weight of 716.84 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[4-(7-phenylindolo[1,2-a]quinolin-6-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-[4-(7-phenylindolo[1,2-a]quinolin-6-yl)phenyl]dibenzofuran-3-amine
PubChem CID146508978
Molecular FormulaC52H32N2O2
Molecular Weight716.84 g/mol
Exact Mass716.25
IUPAC NameN-dibenzofuran-3-yl-N-[4-(7-phenylindolo[1,2-a]quinolin-6-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2c3ccccc3n3c2c(-c2ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc2)cc2ccccc23)cc1
InChIInChI=1S/C52H32N2O2/c1-2-12-34(13-3-1)51-43-17-5-9-19-46(43)54-45-18-8-4-14-35(45)30-44(52(51)54)33-22-24-36(25-23-33)53(37-26-28-41-39-15-6-10-20-47(39)55-49(41)31-37)38-27-29-42-40-16-7-11-21-48(40)56-50(42)32-38/h1-32H
InChIKeyXDCZLXZMXUHOTL-UHFFFAOYSA-N
XLogP14.85
TPSA33.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 514.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-3-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170280138
N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylindolo[1,2-a]quinolin-8-yl)aniline;N-dibenzofuran-3-yl-N-[3-[3-[4-(7-phenylindolo[1,2-a]quinolin-6-yl)phenyl]phenyl]phenyl]dibenzofuran-3-amine;N,N-diphenyl-4-[4-(7-phenylindolo[1,2-a]quinolin-6-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylindolo[1,2-a]quinolin-8-yl)phenyl]-4-(4-phenylphenyl)aniline;N-[4-(7-phenylindolo[1,2-a]quinolin-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[3-[4-(7-phenylindolo[1,2-a]quinolin-6-yl)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[4-[4-(7-phenylindolo[1,2-a]quinolin-6-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;4-phenyl-N-[4-(7-phenylindolo[1,2-a]quinolin-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 160692264
N-[4-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 146508772
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 176611362
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-dibenzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170280299
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 139363157
N-dibenzofuran-2-yl-N-(4-phenylphenyl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170280230
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-7-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 118963228
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)aniline
CID 118963196
N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)phenyl]dibenzofuran-3-amine
CID 146508585
N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-[4-(7-phenylindolo[1,2-a]quinolin-6-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-[4-(7-phenylindolo[1,2-a]quinolin-6-yl)phenyl]dibenzofuran-3-amine (CID 146508978) is N-dibenzofuran-3-yl-N-[4-(7-phenylindolo[1,2-a]quinolin-6-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-[4-(7-phenylindolo[1,2-a]quinolin-6-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-[4-(7-phenylindolo[1,2-a]quinolin-6-yl)phenyl]dibenzofuran-3-amine is c1ccc(-c2c3ccccc3n3c2c(-c2ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc2)cc2ccccc23)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-[4-(7-phenylindolo[1,2-a]quinolin-6-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is XDCZLXZMXUHOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O2/c1-2-12-34(13-3-1)51-43-17-5-9-19-46(43)54-45-18-8-4-14-35(45)30-44(52(51)54)33-22-24-36(25-23-33)53(37-26-28-41-39-15-6-10-20-47(39)55-49(41)31-37)38-27-29-42-40-16-7-11-21-48(40)56-50(42)32-38/h1-32H.
What are the key properties of N-dibenzofuran-3-yl-N-[4-(7-phenylindolo[1,2-a]quinolin-6-yl)phenyl]dibenzofuran-3-amine?
N-dibenzofuran-3-yl-N-[4-(7-phenylindolo[1,2-a]quinolin-6-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 716.84 g/mol, XLogP of 14.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-[4-(7-phenylindolo[1,2-a]quinolin-6-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 146508978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).