N-phenyl-N-[2-(9-pyridin-2-ylcarbazol-2-yl)oxydibenzofuran-4-yl]pyridin-2-amine

C40H26N4O2 — CID 153432020

IUPACN-phenyl-N-[2-(9-pyridin-2-ylcarbazol-2-yl)oxydibenzofuran-4-yl]pyridin-2-amine
SMILESc1ccc(N(c2ccccn2)c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc3c2oc2ccccc23)cc1
InChIInChI=1S/C40H26N4O2/c1-2-12-27(13-3-1)43(38-18-8-10-22-41-38)36-26-29(24-33-32-15-5-7-17-37(32)46-40(33)36)45-28-20-21-31-30-14-4-6-16-34(30)44(35(31)25-28)39-19-9-11-23-42-39/h1-26H
InChIKeyVLYRHPHPRMHHLA-UHFFFAOYSA-N
MW594.67 g/mol
LogP10.74
Rot. Bonds6

About N-phenyl-N-[2-(9-pyridin-2-ylcarbazol-2-yl)oxydibenzofuran-4-yl]pyridin-2-amine

N-phenyl-N-[2-(9-pyridin-2-ylcarbazol-2-yl)oxydibenzofuran-4-yl]pyridin-2-amine (PubChem CID 153432020) has the molecular formula C40H26N4O2 and a molecular weight of 594.67 g/mol. Its IUPAC name is N-phenyl-N-[2-(9-pyridin-2-ylcarbazol-2-yl)oxydibenzofuran-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[2-(9-pyridin-2-ylcarbazol-2-yl)oxydibenzofuran-4-yl]pyridin-2-amine
PubChem CID153432020
Molecular FormulaC40H26N4O2
Molecular Weight594.67 g/mol
Exact Mass594.21
IUPAC NameN-phenyl-N-[2-(9-pyridin-2-ylcarbazol-2-yl)oxydibenzofuran-4-yl]pyridin-2-amine
SMILESc1ccc(N(c2ccccn2)c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc3c2oc2ccccc23)cc1
InChIInChI=1S/C40H26N4O2/c1-2-12-27(13-3-1)43(38-18-8-10-22-41-38)36-26-29(24-33-32-15-5-7-17-37(32)46-40(33)36)45-28-20-21-31-30-14-4-6-16-34(30)44(35(31)25-28)39-19-9-11-23-42-39/h1-26H
InChIKeyVLYRHPHPRMHHLA-UHFFFAOYSA-N
XLogP10.74
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.67
LogP ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(1-methylpyrazol-3-yl)dibenzofuran-2-yl]oxydibenzofuran-4-yl]-N-phenylpyridin-2-amine
CID 153431706
N-[3-[2-(1-methylpyrazol-3-yl)dibenzofuran-4-yl]oxydibenzofuran-1-yl]-N-phenylpyridin-2-amine
CID 153431680
9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 140948681
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
2-[[5-(3-methyl-2H-imidazol-1-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl]oxy]-9-pyridin-2-ylcarbazole
CID 155650282
2-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(2-pyridin-2-yloxydibenzofuran-4-yl)dibenzofuran-4-amine
CID 139493678
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
6-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[1,5-f]phenanthridine
CID 153411413
2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole
CID 141495117
4-(9-pyridin-2-ylcarbazol-2-yl)oxy-12,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 140950405
10-pyrazolo[1,5-f]phenanthridin-10-yloxy-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole
CID 140955412
2-(3-cinnolin-3-yl-5-phenylphenoxy)-9-pyridin-2-ylcarbazole
CID 153465697

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[2-(9-pyridin-2-ylcarbazol-2-yl)oxydibenzofuran-4-yl]pyridin-2-amine?
The IUPAC name of N-phenyl-N-[2-(9-pyridin-2-ylcarbazol-2-yl)oxydibenzofuran-4-yl]pyridin-2-amine (CID 153432020) is N-phenyl-N-[2-(9-pyridin-2-ylcarbazol-2-yl)oxydibenzofuran-4-yl]pyridin-2-amine.
What is the SMILES notation for N-phenyl-N-[2-(9-pyridin-2-ylcarbazol-2-yl)oxydibenzofuran-4-yl]pyridin-2-amine?
The canonical SMILES for N-phenyl-N-[2-(9-pyridin-2-ylcarbazol-2-yl)oxydibenzofuran-4-yl]pyridin-2-amine is c1ccc(N(c2ccccn2)c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc3c2oc2ccccc23)cc1.
What is the InChIKey of N-phenyl-N-[2-(9-pyridin-2-ylcarbazol-2-yl)oxydibenzofuran-4-yl]pyridin-2-amine?
The InChIKey is VLYRHPHPRMHHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4O2/c1-2-12-27(13-3-1)43(38-18-8-10-22-41-38)36-26-29(24-33-32-15-5-7-17-37(32)46-40(33)36)45-28-20-21-31-30-14-4-6-16-34(30)44(35(31)25-28)39-19-9-11-23-42-39/h1-26H.
What are the key properties of N-phenyl-N-[2-(9-pyridin-2-ylcarbazol-2-yl)oxydibenzofuran-4-yl]pyridin-2-amine?
N-phenyl-N-[2-(9-pyridin-2-ylcarbazol-2-yl)oxydibenzofuran-4-yl]pyridin-2-amine has a molecular weight of 594.67 g/mol, XLogP of 10.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[2-(9-pyridin-2-ylcarbazol-2-yl)oxydibenzofuran-4-yl]pyridin-2-amine is sourced from PubChem (CID 153432020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).