N-[4-[6-(9H-carbazol-1-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]dibenzofuran-2-yl]-N-naphthalen-1-ylpyridin-2-amine

C58H48N4O — CID 140854006

IUPACN-[4-[6-(9H-carbazol-1-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]dibenzofuran-2-yl]-N-naphthalen-1-ylpyridin-2-amine
SMILESCC(C)(C)c1cc(-c2cc(-c3cccc4c3[nH]c3ccccc34)nc(-c3cc(N(c4ccccn4)c4cccc5ccccc45)cc4c3oc3ccccc34)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C58H48N4O/c1-57(2,3)39-29-37(30-40(33-39)58(4,5)6)38-31-50(46-23-16-22-45-43-20-9-11-24-49(43)61-55(45)46)60-51(32-38)48-35-41(34-47-44-21-10-12-26-53(44)63-56(47)48)62(54-27-13-14-28-59-54)52-25-15-18-36-17-7-8-19-42(36)52/h7-35,61H,1-6H3
InChIKeyMFSSPCVRAORROZ-UHFFFAOYSA-N
MW817.05 g/mol
LogP16.23
Rot. Bonds6

About N-[4-[6-(9H-carbazol-1-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]dibenzofuran-2-yl]-N-naphthalen-1-ylpyridin-2-amine

N-[4-[6-(9H-carbazol-1-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]dibenzofuran-2-yl]-N-naphthalen-1-ylpyridin-2-amine (PubChem CID 140854006) has the molecular formula C58H48N4O and a molecular weight of 817.05 g/mol. Its IUPAC name is N-[4-[6-(9H-carbazol-1-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]dibenzofuran-2-yl]-N-naphthalen-1-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[4-[6-(9H-carbazol-1-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]dibenzofuran-2-yl]-N-naphthalen-1-ylpyridin-2-amine
PubChem CID140854006
Molecular FormulaC58H48N4O
Molecular Weight817.05 g/mol
Exact Mass816.38
IUPAC NameN-[4-[6-(9H-carbazol-1-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]dibenzofuran-2-yl]-N-naphthalen-1-ylpyridin-2-amine
SMILESCC(C)(C)c1cc(-c2cc(-c3cccc4c3[nH]c3ccccc34)nc(-c3cc(N(c4ccccn4)c4cccc5ccccc45)cc4c3oc3ccccc34)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C58H48N4O/c1-57(2,3)39-29-37(30-40(33-39)58(4,5)6)38-31-50(46-23-16-22-45-43-20-9-11-24-49(43)61-55(45)46)60-51(32-38)48-35-41(34-47-44-21-10-12-26-53(44)63-56(47)48)62(54-27-13-14-28-59-54)52-25-15-18-36-17-7-8-19-42(36)52/h7-35,61H,1-6H3
InChIKeyMFSSPCVRAORROZ-UHFFFAOYSA-N
XLogP16.23
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.05
LogP ≤ 516.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[6-(9H-carbazol-1-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]dibenzofuran-2-yl]-N-naphthalen-1-ylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[4-(3,5-ditert-butylphenyl)-6-(3,6-diphenyl-9H-carbazol-1-yl)-2-pyridinyl]phenyl]-N-naphthalen-1-ylpyridin-2-amine
CID 140854187
N-[3-[4-(3,5-ditert-butylphenyl)-6-[3,6-di(propan-2-yl)-9H-carbazol-1-yl]-2-pyridinyl]phenyl]-N-naphthalen-1-ylpyridin-2-amine
CID 140854012
2-(9H-carbazol-1-yl)-N-naphthalen-1-yl-N-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-amine
CID 140854199
N-[3-[4-(3,5-ditert-butylphenyl)-6-(3-phenyl-1H-indazol-7-yl)-2-pyridinyl]phenyl]-N-phenylpyridin-2-amine
CID 140854118
2-[4-(3,5-ditert-butylphenyl)-6-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-2-pyridinyl]phenol;methane;platinum
CID 159418074
1-[1-naphthalen-1-yl-4-(4-pyridin-2-yldibenzofuran-2-yl)benzimidazol-2-yl]-9H-carbazole
CID 140934498
2-[6-[3-[anthracen-9-yl(pyridin-2-yl)amino]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
CID 136600920
3,5-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]aniline
CID 170296885
4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran
CID 170133663
N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]aniline
CID 170300046
2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol
CID 140873721
4-dibenzofuran-4-yl-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine
CID 131994064

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(9H-carbazol-1-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]dibenzofuran-2-yl]-N-naphthalen-1-ylpyridin-2-amine?
The IUPAC name of N-[4-[6-(9H-carbazol-1-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]dibenzofuran-2-yl]-N-naphthalen-1-ylpyridin-2-amine (CID 140854006) is N-[4-[6-(9H-carbazol-1-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]dibenzofuran-2-yl]-N-naphthalen-1-ylpyridin-2-amine.
What is the SMILES notation for N-[4-[6-(9H-carbazol-1-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]dibenzofuran-2-yl]-N-naphthalen-1-ylpyridin-2-amine?
The canonical SMILES for N-[4-[6-(9H-carbazol-1-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]dibenzofuran-2-yl]-N-naphthalen-1-ylpyridin-2-amine is CC(C)(C)c1cc(-c2cc(-c3cccc4c3[nH]c3ccccc34)nc(-c3cc(N(c4ccccn4)c4cccc5ccccc45)cc4c3oc3ccccc34)c2)cc(C(C)(C)C)c1.
What is the InChIKey of N-[4-[6-(9H-carbazol-1-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]dibenzofuran-2-yl]-N-naphthalen-1-ylpyridin-2-amine?
The InChIKey is MFSSPCVRAORROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48N4O/c1-57(2,3)39-29-37(30-40(33-39)58(4,5)6)38-31-50(46-23-16-22-45-43-20-9-11-24-49(43)61-55(45)46)60-51(32-38)48-35-41(34-47-44-21-10-12-26-53(44)63-56(47)48)62(54-27-13-14-28-59-54)52-25-15-18-36-17-7-8-19-42(36)52/h7-35,61H,1-6H3.
What are the key properties of N-[4-[6-(9H-carbazol-1-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]dibenzofuran-2-yl]-N-naphthalen-1-ylpyridin-2-amine?
N-[4-[6-(9H-carbazol-1-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]dibenzofuran-2-yl]-N-naphthalen-1-ylpyridin-2-amine has a molecular weight of 817.05 g/mol, XLogP of 16.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(9H-carbazol-1-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]dibenzofuran-2-yl]-N-naphthalen-1-ylpyridin-2-amine is sourced from PubChem (CID 140854006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).