N-dibenzofuran-1-yl-N,5,9-triphenylcarbazol-3-amine

C42H28N2O — CID 169009623

IUPACN-dibenzofuran-1-yl-N,5,9-triphenylcarbazol-3-amine
SMILESc1ccc(-c2cccc3c2c2cc(N(c4ccccc4)c4cccc5oc6ccccc6c45)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C42H28N2O/c1-4-14-29(15-5-1)33-21-12-22-37-41(33)35-28-32(26-27-36(35)44(37)31-18-8-3-9-19-31)43(30-16-6-2-7-17-30)38-23-13-25-40-42(38)34-20-10-11-24-39(34)45-40/h1-28H
InChIKeyAINQXKRSERIOCK-UHFFFAOYSA-N
MW576.70 g/mol
LogP11.82
Rot. Bonds5

About N-dibenzofuran-1-yl-N,5,9-triphenylcarbazol-3-amine

N-dibenzofuran-1-yl-N,5,9-triphenylcarbazol-3-amine (PubChem CID 169009623) has the molecular formula C42H28N2O and a molecular weight of 576.70 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N,5,9-triphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N,5,9-triphenylcarbazol-3-amine
PubChem CID169009623
Molecular FormulaC42H28N2O
Molecular Weight576.70 g/mol
Exact Mass576.22
IUPAC NameN-dibenzofuran-1-yl-N,5,9-triphenylcarbazol-3-amine
SMILESc1ccc(-c2cccc3c2c2cc(N(c4ccccc4)c4cccc5oc6ccccc6c45)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C42H28N2O/c1-4-14-29(15-5-1)33-21-12-22-37-41(33)35-28-32(26-27-36(35)44(37)31-18-8-3-9-19-31)43(30-16-6-2-7-17-30)38-23-13-25-40-42(38)34-20-10-11-24-39(34)45-40/h1-28H
InChIKeyAINQXKRSERIOCK-UHFFFAOYSA-N
XLogP11.82
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-2-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine
CID 169010488
N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172500744
N-dibenzofuran-2-yl-9-phenyl-N,5-bis(4-phenylphenyl)carbazol-3-amine
CID 169010452
N-(4-dibenzofuran-3-ylphenyl)-N,5,9-triphenylcarbazol-3-amine
CID 169010221
N-dibenzofuran-1-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 169009626
N-dibenzofuran-1-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010129
N-dibenzofuran-1-yl-9-phenyl-N,5-bis(3-phenylphenyl)carbazol-2-amine
CID 169010211
N,5,9-triphenyl-N-(9-phenylcarbazol-3-yl)carbazol-4-amine
CID 169009800
N-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine
CID 169010216
5,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 169010302
5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)carbazol-3-amine
CID 169010368
N-(4-dibenzofuran-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010360

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N,5,9-triphenylcarbazol-3-amine?
The IUPAC name of N-dibenzofuran-1-yl-N,5,9-triphenylcarbazol-3-amine (CID 169009623) is N-dibenzofuran-1-yl-N,5,9-triphenylcarbazol-3-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N,5,9-triphenylcarbazol-3-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N,5,9-triphenylcarbazol-3-amine is c1ccc(-c2cccc3c2c2cc(N(c4ccccc4)c4cccc5oc6ccccc6c45)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N,5,9-triphenylcarbazol-3-amine?
The InChIKey is AINQXKRSERIOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2O/c1-4-14-29(15-5-1)33-21-12-22-37-41(33)35-28-32(26-27-36(35)44(37)31-18-8-3-9-19-31)43(30-16-6-2-7-17-30)38-23-13-25-40-42(38)34-20-10-11-24-39(34)45-40/h1-28H.
What are the key properties of N-dibenzofuran-1-yl-N,5,9-triphenylcarbazol-3-amine?
N-dibenzofuran-1-yl-N,5,9-triphenylcarbazol-3-amine has a molecular weight of 576.70 g/mol, XLogP of 11.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N,5,9-triphenylcarbazol-3-amine is sourced from PubChem (CID 169009623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).