N-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-6,8,9-triphenylcarbazol-1-amine

C60H40N2O — CID 177286423

IUPACN-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-6,8,9-triphenylcarbazol-1-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c5cc(-c6ccccc6)cc(-c6ccccc6)c5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C60H40N2O/c1-6-19-41(20-7-1)45-35-46(42-21-8-2-9-22-42)37-50(36-45)61(49-33-34-58-54(40-49)51-29-16-17-32-57(51)63-58)56-31-18-30-52-55-39-47(43-23-10-3-11-24-43)38-53(44-25-12-4-13-26-44)59(55)62(60(52)56)48-27-14-5-15-28-48/h1-40H
InChIKeyBFRBFEJVNWUKFZ-UHFFFAOYSA-N
MW804.99 g/mol
LogP16.82
Rot. Bonds8

About N-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-6,8,9-triphenylcarbazol-1-amine

N-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-6,8,9-triphenylcarbazol-1-amine (PubChem CID 177286423) has the molecular formula C60H40N2O and a molecular weight of 804.99 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-6,8,9-triphenylcarbazol-1-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-6,8,9-triphenylcarbazol-1-amine
PubChem CID177286423
Molecular FormulaC60H40N2O
Molecular Weight804.99 g/mol
Exact Mass804.31
IUPAC NameN-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-6,8,9-triphenylcarbazol-1-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c5cc(-c6ccccc6)cc(-c6ccccc6)c5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C60H40N2O/c1-6-19-41(20-7-1)45-35-46(42-21-8-2-9-22-42)37-50(36-45)61(49-33-34-58-54(40-49)51-29-16-17-32-57(51)63-58)56-31-18-30-52-55-39-47(43-23-10-3-11-24-43)38-53(44-25-12-4-13-26-44)59(55)62(60(52)56)48-27-14-5-15-28-48/h1-40H
InChIKeyBFRBFEJVNWUKFZ-UHFFFAOYSA-N
XLogP16.82
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.99
LogP ≤ 516.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-2-yl-N-dibenzothiophen-2-yl-6,8,9-triphenylcarbazol-1-amine
CID 177286552
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503040
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-6,8,9-triphenylcarbazol-3-amine
CID 177286461
1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine
CID 166917710
N-dibenzofuran-3-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 164790550
methane;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 165018255
3-N-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-1-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(3-phenylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 163949527
N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-3-amine
CID 177286582
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 164790790
N-(3,5-diphenylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168804923
N-dibenzofuran-2-yl-9-dibenzofuran-4-yl-N,6,8-triphenylcarbazol-2-amine
CID 177286554
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
CID 170033639

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-6,8,9-triphenylcarbazol-1-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-6,8,9-triphenylcarbazol-1-amine (CID 177286423) is N-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-6,8,9-triphenylcarbazol-1-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-6,8,9-triphenylcarbazol-1-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-6,8,9-triphenylcarbazol-1-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c5cc(-c6ccccc6)cc(-c6ccccc6)c5n(-c5ccccc5)c34)c2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-6,8,9-triphenylcarbazol-1-amine?
The InChIKey is BFRBFEJVNWUKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O/c1-6-19-41(20-7-1)45-35-46(42-21-8-2-9-22-42)37-50(36-45)61(49-33-34-58-54(40-49)51-29-16-17-32-57(51)63-58)56-31-18-30-52-55-39-47(43-23-10-3-11-24-43)38-53(44-25-12-4-13-26-44)59(55)62(60(52)56)48-27-14-5-15-28-48/h1-40H.
What are the key properties of N-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-6,8,9-triphenylcarbazol-1-amine?
N-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-6,8,9-triphenylcarbazol-1-amine has a molecular weight of 804.99 g/mol, XLogP of 16.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-6,8,9-triphenylcarbazol-1-amine is sourced from PubChem (CID 177286423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).