9,9-dimethyl-10-pyridin-2-yl-3-[3-pyrido[2,3-b]indol-9-yl-5-(trifluoromethyl)phenyl]acridine

C38H27F3N4 — CID 167377760

IUPAC9,9-dimethyl-10-pyridin-2-yl-3-[3-pyrido[2,3-b]indol-9-yl-5-(trifluoromethyl)phenyl]acridine
SMILESCC1(C)c2ccccc2N(c2ccccn2)c2cc(-c3cc(-n4c5ccccc5c5cccnc54)cc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C38H27F3N4/c1-37(2)30-12-4-6-14-33(30)45(35-15-7-8-18-42-35)34-22-24(16-17-31(34)37)25-20-26(38(39,40)41)23-27(21-25)44-32-13-5-3-10-28(32)29-11-9-19-43-36(29)44/h3-23H,1-2H3
InChIKeyZSWNCDNDHJKVGW-UHFFFAOYSA-N
MW596.66 g/mol
LogP10.37
Rot. Bonds3

About 9,9-dimethyl-10-pyridin-2-yl-3-[3-pyrido[2,3-b]indol-9-yl-5-(trifluoromethyl)phenyl]acridine

9,9-dimethyl-10-pyridin-2-yl-3-[3-pyrido[2,3-b]indol-9-yl-5-(trifluoromethyl)phenyl]acridine (PubChem CID 167377760) has the molecular formula C38H27F3N4 and a molecular weight of 596.66 g/mol. Its IUPAC name is 9,9-dimethyl-10-pyridin-2-yl-3-[3-pyrido[2,3-b]indol-9-yl-5-(trifluoromethyl)phenyl]acridine.

Molecular Properties

Compound Name9,9-dimethyl-10-pyridin-2-yl-3-[3-pyrido[2,3-b]indol-9-yl-5-(trifluoromethyl)phenyl]acridine
PubChem CID167377760
Molecular FormulaC38H27F3N4
Molecular Weight596.66 g/mol
Exact Mass596.22
IUPAC Name9,9-dimethyl-10-pyridin-2-yl-3-[3-pyrido[2,3-b]indol-9-yl-5-(trifluoromethyl)phenyl]acridine
SMILESCC1(C)c2ccccc2N(c2ccccn2)c2cc(-c3cc(-n4c5ccccc5c5cccnc54)cc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C38H27F3N4/c1-37(2)30-12-4-6-14-33(30)45(35-15-7-8-18-42-35)34-22-24(16-17-31(34)37)25-20-26(38(39,40)41)23-27(21-25)44-32-13-5-3-10-28(32)29-11-9-19-43-36(29)44/h3-23H,1-2H3
InChIKeyZSWNCDNDHJKVGW-UHFFFAOYSA-N
XLogP10.37
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.66
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 140709626
9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 118539189
9,9-dimethyl-10-pyridin-2-yl-3-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-4H-acridin-4-ide;platinum(2+)
CID 167377749
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 140709598
9,9-dimethyl-10-pyridin-2-ylacridin-3-ol
CID 118539200
10-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine;9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine;9-[4-(3,5-diphenylphenyl)phenyl]carbazole
CID 160816832
9-[4-[4-(3-methylphenyl)phenyl]phenyl]-6-[3-(10-phenylanthracen-9-yl)-5-(trifluoromethyl)phenyl]pyrido[2,3-b]indole
CID 130450011
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
10-[9-[3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9,9-dimethylacridine
CID 168836599
10-(4-tert-butyl-2-pyridinyl)-14-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 126653688
3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinoline-5-thiol
CID 171579701

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-pyridin-2-yl-3-[3-pyrido[2,3-b]indol-9-yl-5-(trifluoromethyl)phenyl]acridine?
The IUPAC name of 9,9-dimethyl-10-pyridin-2-yl-3-[3-pyrido[2,3-b]indol-9-yl-5-(trifluoromethyl)phenyl]acridine (CID 167377760) is 9,9-dimethyl-10-pyridin-2-yl-3-[3-pyrido[2,3-b]indol-9-yl-5-(trifluoromethyl)phenyl]acridine.
What is the SMILES notation for 9,9-dimethyl-10-pyridin-2-yl-3-[3-pyrido[2,3-b]indol-9-yl-5-(trifluoromethyl)phenyl]acridine?
The canonical SMILES for 9,9-dimethyl-10-pyridin-2-yl-3-[3-pyrido[2,3-b]indol-9-yl-5-(trifluoromethyl)phenyl]acridine is CC1(C)c2ccccc2N(c2ccccn2)c2cc(-c3cc(-n4c5ccccc5c5cccnc54)cc(C(F)(F)F)c3)ccc21.
What is the InChIKey of 9,9-dimethyl-10-pyridin-2-yl-3-[3-pyrido[2,3-b]indol-9-yl-5-(trifluoromethyl)phenyl]acridine?
The InChIKey is ZSWNCDNDHJKVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27F3N4/c1-37(2)30-12-4-6-14-33(30)45(35-15-7-8-18-42-35)34-22-24(16-17-31(34)37)25-20-26(38(39,40)41)23-27(21-25)44-32-13-5-3-10-28(32)29-11-9-19-43-36(29)44/h3-23H,1-2H3.
What are the key properties of 9,9-dimethyl-10-pyridin-2-yl-3-[3-pyrido[2,3-b]indol-9-yl-5-(trifluoromethyl)phenyl]acridine?
9,9-dimethyl-10-pyridin-2-yl-3-[3-pyrido[2,3-b]indol-9-yl-5-(trifluoromethyl)phenyl]acridine has a molecular weight of 596.66 g/mol, XLogP of 10.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-pyridin-2-yl-3-[3-pyrido[2,3-b]indol-9-yl-5-(trifluoromethyl)phenyl]acridine is sourced from PubChem (CID 167377760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).