8,8-dimethyl-13-phenyl-5-pyridin-2-yl-3-(3-pyridin-2-ylphenoxy)indolo[2,3-c]acridine

C43H32N4O — CID 140954813

IUPAC8,8-dimethyl-13-phenyl-5-pyridin-2-yl-3-(3-pyridin-2-ylphenoxy)indolo[2,3-c]acridine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2c1ccc1c2c2ccc(Oc3cccc(-c4ccccn4)c3)cc2n1-c1ccccn1
InChIInChI=1S/C43H32N4O/c1-43(2)34-17-6-7-19-37(34)46(30-14-4-3-5-15-30)42-35(43)23-24-38-41(42)33-22-21-32(28-39(33)47(38)40-20-9-11-26-45-40)48-31-16-12-13-29(27-31)36-18-8-10-25-44-36/h3-28H,1-2H3
InChIKeyYDOZNBBLBRGMEY-UHFFFAOYSA-N
MW620.76 g/mol
LogP11.14
Rot. Bonds5

About 8,8-dimethyl-13-phenyl-5-pyridin-2-yl-3-(3-pyridin-2-ylphenoxy)indolo[2,3-c]acridine

8,8-dimethyl-13-phenyl-5-pyridin-2-yl-3-(3-pyridin-2-ylphenoxy)indolo[2,3-c]acridine (PubChem CID 140954813) has the molecular formula C43H32N4O and a molecular weight of 620.76 g/mol. Its IUPAC name is 8,8-dimethyl-13-phenyl-5-pyridin-2-yl-3-(3-pyridin-2-ylphenoxy)indolo[2,3-c]acridine.

Molecular Properties

Compound Name8,8-dimethyl-13-phenyl-5-pyridin-2-yl-3-(3-pyridin-2-ylphenoxy)indolo[2,3-c]acridine
PubChem CID140954813
Molecular FormulaC43H32N4O
Molecular Weight620.76 g/mol
Exact Mass620.26
IUPAC Name8,8-dimethyl-13-phenyl-5-pyridin-2-yl-3-(3-pyridin-2-ylphenoxy)indolo[2,3-c]acridine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2c1ccc1c2c2ccc(Oc3cccc(-c4ccccn4)c3)cc2n1-c1ccccn1
InChIInChI=1S/C43H32N4O/c1-43(2)34-17-6-7-19-37(34)46(30-14-4-3-5-15-30)42-35(43)23-24-38-41(42)33-22-21-32(28-39(33)47(38)40-20-9-11-26-45-40)48-31-16-12-13-29(27-31)36-18-8-10-25-44-36/h3-28H,1-2H3
InChIKeyYDOZNBBLBRGMEY-UHFFFAOYSA-N
XLogP11.14
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.76
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8,8-dimethyl-13-phenyl-5-pyridin-2-yl-3-(3-pyridin-2-ylphenoxy)indolo[2,3-c]acridine with MolForge

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Related Compounds

21,21-dimethyl-14-phenyl-10-pyridin-2-yl-7-(3-pyridin-2-ylphenoxy)-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 140953723
5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole
CID 140954421
5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole
CID 140884641
8,8-dimethyl-14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene
CID 155616602
(13,13-dimethyl-5-phenyl-8-pyridin-2-ylindolo[3,2-a]acridin-6-yl)-diphenyl-(3-pyridin-2-ylphenyl)silane
CID 140952474
8,8-dimethyl-7-[3-(1-methylbenzimidazol-2-yl)phenoxy]-13-phenyl-5-pyridin-2-ylindolo[2,3-c]acridine
CID 140955104
8,8,14-trimethyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene
CID 155616528
14,14-diphenyl-10-pyridin-2-yl-7-(3-pyridin-2-ylphenoxy)-21-oxa-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 140953225
11-[3-[3-[9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazol-2-yl]oxyphenyl]-2H-imidazol-1-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 169294360
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
2,7-bis[3-(1-phenylimidazol-2-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole
CID 154592465

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-13-phenyl-5-pyridin-2-yl-3-(3-pyridin-2-ylphenoxy)indolo[2,3-c]acridine?
The IUPAC name of 8,8-dimethyl-13-phenyl-5-pyridin-2-yl-3-(3-pyridin-2-ylphenoxy)indolo[2,3-c]acridine (CID 140954813) is 8,8-dimethyl-13-phenyl-5-pyridin-2-yl-3-(3-pyridin-2-ylphenoxy)indolo[2,3-c]acridine.
What is the SMILES notation for 8,8-dimethyl-13-phenyl-5-pyridin-2-yl-3-(3-pyridin-2-ylphenoxy)indolo[2,3-c]acridine?
The canonical SMILES for 8,8-dimethyl-13-phenyl-5-pyridin-2-yl-3-(3-pyridin-2-ylphenoxy)indolo[2,3-c]acridine is CC1(C)c2ccccc2N(c2ccccc2)c2c1ccc1c2c2ccc(Oc3cccc(-c4ccccn4)c3)cc2n1-c1ccccn1.
What is the InChIKey of 8,8-dimethyl-13-phenyl-5-pyridin-2-yl-3-(3-pyridin-2-ylphenoxy)indolo[2,3-c]acridine?
The InChIKey is YDOZNBBLBRGMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N4O/c1-43(2)34-17-6-7-19-37(34)46(30-14-4-3-5-15-30)42-35(43)23-24-38-41(42)33-22-21-32(28-39(33)47(38)40-20-9-11-26-45-40)48-31-16-12-13-29(27-31)36-18-8-10-25-44-36/h3-28H,1-2H3.
What are the key properties of 8,8-dimethyl-13-phenyl-5-pyridin-2-yl-3-(3-pyridin-2-ylphenoxy)indolo[2,3-c]acridine?
8,8-dimethyl-13-phenyl-5-pyridin-2-yl-3-(3-pyridin-2-ylphenoxy)indolo[2,3-c]acridine has a molecular weight of 620.76 g/mol, XLogP of 11.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-13-phenyl-5-pyridin-2-yl-3-(3-pyridin-2-ylphenoxy)indolo[2,3-c]acridine is sourced from PubChem (CID 140954813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).