N,6-di(dibenzofuran-3-yl)-N,11-diphenylbenzo[a]carbazol-9-amine

C52H32N2O2 — CID 174306640

IUPACN,6-di(dibenzofuran-3-yl)-N,11-diphenylbenzo[a]carbazol-9-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c4c(-c5ccc6c(c5)oc5ccccc56)cc5ccccc5c4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C52H32N2O2/c1-3-14-35(15-4-1)53(38-24-27-43-41-20-10-12-22-48(41)56-50(43)32-38)37-25-28-44-46(31-37)54(36-16-5-2-6-17-36)52-39-18-8-7-13-33(39)29-45(51(44)52)34-23-26-42-40-19-9-11-21-47(40)55-49(42)30-34/h1-32H
InChIKeyJJKPVNNLFQANQJ-UHFFFAOYSA-N
MW716.84 g/mol
LogP14.87
Rot. Bonds5

About N,6-di(dibenzofuran-3-yl)-N,11-diphenylbenzo[a]carbazol-9-amine

N,6-di(dibenzofuran-3-yl)-N,11-diphenylbenzo[a]carbazol-9-amine (PubChem CID 174306640) has the molecular formula C52H32N2O2 and a molecular weight of 716.84 g/mol. Its IUPAC name is N,6-di(dibenzofuran-3-yl)-N,11-diphenylbenzo[a]carbazol-9-amine.

Molecular Properties

Compound NameN,6-di(dibenzofuran-3-yl)-N,11-diphenylbenzo[a]carbazol-9-amine
PubChem CID174306640
Molecular FormulaC52H32N2O2
Molecular Weight716.84 g/mol
Exact Mass716.25
IUPAC NameN,6-di(dibenzofuran-3-yl)-N,11-diphenylbenzo[a]carbazol-9-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c4c(-c5ccc6c(c5)oc5ccccc56)cc5ccccc5c4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C52H32N2O2/c1-3-14-35(15-4-1)53(38-24-27-43-41-20-10-12-22-48(41)56-50(43)32-38)37-25-28-44-46(31-37)54(36-16-5-2-6-17-36)52-39-18-8-7-13-33(39)29-45(51(44)52)34-23-26-42-40-19-9-11-21-47(40)55-49(42)30-34/h1-32H
InChIKeyJJKPVNNLFQANQJ-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-3-yl-N,6,11-triphenylbenzo[a]carbazol-8-amine
CID 174305875
N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline
CID 174306559
N,9-diphenyl-N-[7-(11-phenylbenzo[a]carbazol-8-yl)dibenzofuran-3-yl]carbazol-2-amine
CID 167243662
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-11-phenylbenzo[a]carbazol-3-amine
CID 155034759
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 166847504
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-3-amine
CID 168781831
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166660311
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168781443
3-N,9-N-di(dibenzofuran-3-yl)-3-N,9-N,5,6-tetraphenylindolo[2,3-b]indole-3,9-diamine
CID 137471523
N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 167195599
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-11-phenylbenzo[a]carbazol-9-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[g]carbazol-9-amine;7-phenyl-N,N-bis(4-phenylphenyl)benzo[g]carbazol-9-amine;7-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)benzo[g]carbazol-9-amine
CID 165067674
N-(4-phenanthren-9-ylphenyl)-N-phenyl-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166659716

Frequently Asked Questions

What is the IUPAC name of N,6-di(dibenzofuran-3-yl)-N,11-diphenylbenzo[a]carbazol-9-amine?
The IUPAC name of N,6-di(dibenzofuran-3-yl)-N,11-diphenylbenzo[a]carbazol-9-amine (CID 174306640) is N,6-di(dibenzofuran-3-yl)-N,11-diphenylbenzo[a]carbazol-9-amine.
What is the SMILES notation for N,6-di(dibenzofuran-3-yl)-N,11-diphenylbenzo[a]carbazol-9-amine?
The canonical SMILES for N,6-di(dibenzofuran-3-yl)-N,11-diphenylbenzo[a]carbazol-9-amine is c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c4c(-c5ccc6c(c5)oc5ccccc56)cc5ccccc5c4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N,6-di(dibenzofuran-3-yl)-N,11-diphenylbenzo[a]carbazol-9-amine?
The InChIKey is JJKPVNNLFQANQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O2/c1-3-14-35(15-4-1)53(38-24-27-43-41-20-10-12-22-48(41)56-50(43)32-38)37-25-28-44-46(31-37)54(36-16-5-2-6-17-36)52-39-18-8-7-13-33(39)29-45(51(44)52)34-23-26-42-40-19-9-11-21-47(40)55-49(42)30-34/h1-32H.
What are the key properties of N,6-di(dibenzofuran-3-yl)-N,11-diphenylbenzo[a]carbazol-9-amine?
N,6-di(dibenzofuran-3-yl)-N,11-diphenylbenzo[a]carbazol-9-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,6-di(dibenzofuran-3-yl)-N,11-diphenylbenzo[a]carbazol-9-amine is sourced from PubChem (CID 174306640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).