2-(3-cinnolin-3-yl-5-phenylphenoxy)-9-pyridin-2-ylcarbazole

C37H24N4O — CID 153465697

IUPAC2-(3-cinnolin-3-yl-5-phenylphenoxy)-9-pyridin-2-ylcarbazole
SMILESc1ccc(-c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(-c3cc4ccccc4nn3)c2)cc1
InChIInChI=1S/C37H24N4O/c1-2-10-25(11-3-1)27-20-28(34-23-26-12-4-6-14-33(26)39-40-34)22-30(21-27)42-29-17-18-32-31-13-5-7-15-35(31)41(36(32)24-29)37-16-8-9-19-38-37/h1-24H
InChIKeyMHIQAEWRLXCNCL-UHFFFAOYSA-N
MW540.63 g/mol
LogP9.25
Rot. Bonds5

About 2-(3-cinnolin-3-yl-5-phenylphenoxy)-9-pyridin-2-ylcarbazole

2-(3-cinnolin-3-yl-5-phenylphenoxy)-9-pyridin-2-ylcarbazole (PubChem CID 153465697) has the molecular formula C37H24N4O and a molecular weight of 540.63 g/mol. Its IUPAC name is 2-(3-cinnolin-3-yl-5-phenylphenoxy)-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-(3-cinnolin-3-yl-5-phenylphenoxy)-9-pyridin-2-ylcarbazole
PubChem CID153465697
Molecular FormulaC37H24N4O
Molecular Weight540.63 g/mol
Exact Mass540.20
IUPAC Name2-(3-cinnolin-3-yl-5-phenylphenoxy)-9-pyridin-2-ylcarbazole
SMILESc1ccc(-c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(-c3cc4ccccc4nn3)c2)cc1
InChIInChI=1S/C37H24N4O/c1-2-10-25(11-3-1)27-20-28(34-23-26-12-4-6-14-33(26)39-40-34)22-30(21-27)42-29-17-18-32-31-13-5-7-15-35(31)41(36(32)24-29)37-16-8-9-19-38-37/h1-24H
InChIKeyMHIQAEWRLXCNCL-UHFFFAOYSA-N
XLogP9.25
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.63
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-pyridin-2-yl-2-(3-quinolin-2-ylphenoxy)carbazole
CID 161376299
10,12-diphenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-14,21-diazapentacyclo[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 154610589
2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole
CID 90290347
2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 170654817
3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole
CID 140954841
2-(3-indazol-2-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140730409
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
4-(9-pyridin-2-ylcarbazol-2-yl)oxy-9,12,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 140949999
5,7-diphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
CID 154611490
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
5-(9-pyridin-2-ylcarbazol-2-yl)oxy-9,14,21-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 140950178

Frequently Asked Questions

What is the IUPAC name of 2-(3-cinnolin-3-yl-5-phenylphenoxy)-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-(3-cinnolin-3-yl-5-phenylphenoxy)-9-pyridin-2-ylcarbazole (CID 153465697) is 2-(3-cinnolin-3-yl-5-phenylphenoxy)-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-(3-cinnolin-3-yl-5-phenylphenoxy)-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-(3-cinnolin-3-yl-5-phenylphenoxy)-9-pyridin-2-ylcarbazole is c1ccc(-c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(-c3cc4ccccc4nn3)c2)cc1.
What is the InChIKey of 2-(3-cinnolin-3-yl-5-phenylphenoxy)-9-pyridin-2-ylcarbazole?
The InChIKey is MHIQAEWRLXCNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N4O/c1-2-10-25(11-3-1)27-20-28(34-23-26-12-4-6-14-33(26)39-40-34)22-30(21-27)42-29-17-18-32-31-13-5-7-15-35(31)41(36(32)24-29)37-16-8-9-19-38-37/h1-24H.
What are the key properties of 2-(3-cinnolin-3-yl-5-phenylphenoxy)-9-pyridin-2-ylcarbazole?
2-(3-cinnolin-3-yl-5-phenylphenoxy)-9-pyridin-2-ylcarbazole has a molecular weight of 540.63 g/mol, XLogP of 9.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cinnolin-3-yl-5-phenylphenoxy)-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 153465697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).