2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole

C42H31N3O — CID 90290347

IUPAC2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole
SMILESCc1cc(-c2ccccc2)cc(C)c1-c1ccnc(-c2cccc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)c1
InChIInChI=1S/C42H31N3O/c1-28-23-33(30-11-4-3-5-12-30)24-29(2)42(28)32-20-22-43-38(26-32)31-13-10-14-34(25-31)46-35-18-19-37-36-15-6-7-16-39(36)45(40(37)27-35)41-17-8-9-21-44-41/h3-27H,1-2H3
InChIKeyWDSAZCKADXJGSU-UHFFFAOYSA-N
MW593.73 g/mol
LogP10.98
Rot. Bonds6

About 2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole

2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole (PubChem CID 90290347) has the molecular formula C42H31N3O and a molecular weight of 593.73 g/mol. Its IUPAC name is 2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole
PubChem CID90290347
Molecular FormulaC42H31N3O
Molecular Weight593.73 g/mol
Exact Mass593.25
IUPAC Name2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole
SMILESCc1cc(-c2ccccc2)cc(C)c1-c1ccnc(-c2cccc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)c1
InChIInChI=1S/C42H31N3O/c1-28-23-33(30-11-4-3-5-12-30)24-29(2)42(28)32-20-22-43-38(26-32)31-13-10-14-34(25-31)46-35-18-19-37-36-15-6-7-16-39(36)45(40(37)27-35)41-17-8-9-21-44-41/h3-27H,1-2H3
InChIKeyWDSAZCKADXJGSU-UHFFFAOYSA-N
XLogP10.98
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.73
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylphenoxy]-9-pyridin-2-ylcarbazole;palladium(2+)
CID 157190267
9-pyridin-2-yl-2-(3-quinolin-2-ylphenoxy)carbazole
CID 161376299
1,2,7,8-tetramethyl-9-[2-[2-(3-pyridin-2-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole
CID 171769380
2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 140729894
2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole
CID 141495117
5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole
CID 140884641
11-(9-pyridin-2-ylcarbazol-2-yl)oxy-6-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
CID 154610805
2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153443608
2-[3-[3-(2,4-difluorophenyl)-2H-benzimidazol-1-yl]-5-(2,6-dimethyl-4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole
CID 172534222
2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 140729932
9-(4-chloro-2-pyridinyl)-2-[3-(3-iodo-2,4,6-trimethylphenyl)phenoxy]carbazole
CID 166052902
2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 170654817

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole (CID 90290347) is 2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole is Cc1cc(-c2ccccc2)cc(C)c1-c1ccnc(-c2cccc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)c1.
What is the InChIKey of 2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole?
The InChIKey is WDSAZCKADXJGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N3O/c1-28-23-33(30-11-4-3-5-12-30)24-29(2)42(28)32-20-22-43-38(26-32)31-13-10-14-34(25-31)46-35-18-19-37-36-15-6-7-16-39(36)45(40(37)27-35)41-17-8-9-21-44-41/h3-27H,1-2H3.
What are the key properties of 2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole?
2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole has a molecular weight of 593.73 g/mol, XLogP of 10.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 90290347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).