N-dibenzofuran-3-yl-N,6,11-triphenylbenzo[a]carbazol-8-amine

C46H30N2O — CID 174305875

IUPACN-dibenzofuran-3-yl-N,6,11-triphenylbenzo[a]carbazol-8-amine
SMILESc1ccc(-c2cc3ccccc3c3c2c2cc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C46H30N2O/c1-4-14-31(15-5-1)40-28-32-16-10-11-21-37(32)46-45(40)41-29-35(25-27-42(41)48(46)34-19-8-3-9-20-34)47(33-17-6-2-7-18-33)36-24-26-39-38-22-12-13-23-43(38)49-44(39)30-36/h1-30H
InChIKeyOIQYKIMFXPSWMM-UHFFFAOYSA-N
MW626.76 g/mol
LogP12.97
Rot. Bonds5

About N-dibenzofuran-3-yl-N,6,11-triphenylbenzo[a]carbazol-8-amine

N-dibenzofuran-3-yl-N,6,11-triphenylbenzo[a]carbazol-8-amine (PubChem CID 174305875) has the molecular formula C46H30N2O and a molecular weight of 626.76 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N,6,11-triphenylbenzo[a]carbazol-8-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N,6,11-triphenylbenzo[a]carbazol-8-amine
PubChem CID174305875
Molecular FormulaC46H30N2O
Molecular Weight626.76 g/mol
Exact Mass626.24
IUPAC NameN-dibenzofuran-3-yl-N,6,11-triphenylbenzo[a]carbazol-8-amine
SMILESc1ccc(-c2cc3ccccc3c3c2c2cc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C46H30N2O/c1-4-14-31(15-5-1)40-28-32-16-10-11-21-37(32)46-45(40)41-29-35(25-27-42(41)48(46)34-19-8-3-9-20-34)47(33-17-6-2-7-18-33)36-24-26-39-38-22-12-13-23-43(38)49-44(39)30-36/h1-30H
InChIKeyOIQYKIMFXPSWMM-UHFFFAOYSA-N
XLogP12.97
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,6-di(dibenzofuran-3-yl)-N,11-diphenylbenzo[a]carbazol-9-amine
CID 174306640
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-11-phenylbenzo[a]carbazol-3-amine
CID 155034759
N-naphthalen-2-yl-6-phenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-8-amine
CID 174306026
N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline
CID 174306559
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174
N-(4-dibenzofuran-3-ylphenyl)-N,5,9-triphenylcarbazol-3-amine
CID 169010221
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-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 166847504
N-(4-phenanthren-9-ylphenyl)-N-phenyl-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166659716
N,N-bis(4-phenanthren-9-ylphenyl)-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166660342
N-dibenzofuran-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine
CID 166847754
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-3-amine
CID 168781831

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N,6,11-triphenylbenzo[a]carbazol-8-amine?
The IUPAC name of N-dibenzofuran-3-yl-N,6,11-triphenylbenzo[a]carbazol-8-amine (CID 174305875) is N-dibenzofuran-3-yl-N,6,11-triphenylbenzo[a]carbazol-8-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N,6,11-triphenylbenzo[a]carbazol-8-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N,6,11-triphenylbenzo[a]carbazol-8-amine is c1ccc(-c2cc3ccccc3c3c2c2cc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N,6,11-triphenylbenzo[a]carbazol-8-amine?
The InChIKey is OIQYKIMFXPSWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O/c1-4-14-31(15-5-1)40-28-32-16-10-11-21-37(32)46-45(40)41-29-35(25-27-42(41)48(46)34-19-8-3-9-20-34)47(33-17-6-2-7-18-33)36-24-26-39-38-22-12-13-23-43(38)49-44(39)30-36/h1-30H.
What are the key properties of N-dibenzofuran-3-yl-N,6,11-triphenylbenzo[a]carbazol-8-amine?
N-dibenzofuran-3-yl-N,6,11-triphenylbenzo[a]carbazol-8-amine has a molecular weight of 626.76 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N,6,11-triphenylbenzo[a]carbazol-8-amine is sourced from PubChem (CID 174305875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).