N-dibenzofuran-2-yl-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine

C46H30N2O — CID 166847905

IUPACN-dibenzofuran-2-yl-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3oc4ccccc4c3c2)c2ccc3c4ccc5ccccc5c4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C46H30N2O/c1-3-13-31(14-4-1)36-18-9-11-21-42(36)47(34-25-28-45-41(29-34)39-20-10-12-22-44(39)49-45)35-24-27-38-40-26-23-32-15-7-8-19-37(32)46(40)48(43(38)30-35)33-16-5-2-6-17-33/h1-30H
InChIKeyJTXIJMVOFBXJLG-UHFFFAOYSA-N
MW626.76 g/mol
LogP12.97
Rot. Bonds5

About N-dibenzofuran-2-yl-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine

N-dibenzofuran-2-yl-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine (PubChem CID 166847905) has the molecular formula C46H30N2O and a molecular weight of 626.76 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine
PubChem CID166847905
Molecular FormulaC46H30N2O
Molecular Weight626.76 g/mol
Exact Mass626.24
IUPAC NameN-dibenzofuran-2-yl-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3oc4ccccc4c3c2)c2ccc3c4ccc5ccccc5c4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C46H30N2O/c1-3-13-31(14-4-1)36-18-9-11-21-42(36)47(34-25-28-45-41(29-34)39-20-10-12-22-44(39)49-45)35-24-27-38-40-26-23-32-15-7-8-19-37(32)46(40)48(43(38)30-35)33-16-5-2-6-17-33/h1-30H
InChIKeyJTXIJMVOFBXJLG-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-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 168782026
N-dibenzofuran-1-yl-6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-2-amine
CID 168781491
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 168781835
N-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine
CID 170138950
9-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
CID 130250239
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 168781922
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-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
CID 168781594
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503040
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-3-amine
CID 168781831
N-[4-(7-phenylbenzo[c]carbazol-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 166847555
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine
CID 168781470

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine?
The IUPAC name of N-dibenzofuran-2-yl-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine (CID 166847905) is N-dibenzofuran-2-yl-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine?
The canonical SMILES for N-dibenzofuran-2-yl-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine is c1ccc(-c2ccccc2N(c2ccc3oc4ccccc4c3c2)c2ccc3c4ccc5ccccc5c4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine?
The InChIKey is JTXIJMVOFBXJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O/c1-3-13-31(14-4-1)36-18-9-11-21-42(36)47(34-25-28-45-41(29-34)39-20-10-12-22-44(39)49-45)35-24-27-38-40-26-23-32-15-7-8-19-37(32)46(40)48(43(38)30-35)33-16-5-2-6-17-33/h1-30H.
What are the key properties of N-dibenzofuran-2-yl-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine?
N-dibenzofuran-2-yl-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-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-2-yl-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine is sourced from PubChem (CID 166847905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).