9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine

C35H27N5 — CID 118539189

IUPAC9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
SMILESCC1(C)c2ccccc2N(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2cc(-n3cccn3)ccc21
InChIInChI=1S/C35H27N5/c1-35(2)28-11-4-6-13-31(28)39(33-22-24(16-18-29(33)35)38-21-9-20-37-38)25-15-17-27-26-10-3-5-12-30(26)40(32(27)23-25)34-14-7-8-19-36-34/h3-23H,1-2H3
InChIKeyFHJORAWUVXIROO-UHFFFAOYSA-N
MW517.64 g/mol
LogP8.47
Rot. Bonds3

About 9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine

9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine (PubChem CID 118539189) has the molecular formula C35H27N5 and a molecular weight of 517.64 g/mol. Its IUPAC name is 9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine.

Molecular Properties

Compound Name9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
PubChem CID118539189
Molecular FormulaC35H27N5
Molecular Weight517.64 g/mol
Exact Mass517.23
IUPAC Name9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
SMILESCC1(C)c2ccccc2N(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2cc(-n3cccn3)ccc21
InChIInChI=1S/C35H27N5/c1-35(2)28-11-4-6-13-31(28)39(33-22-24(16-18-29(33)35)38-21-9-20-37-38)25-15-17-27-26-10-3-5-12-30(26)40(32(27)23-25)34-14-7-8-19-36-34/h3-23H,1-2H3
InChIKeyFHJORAWUVXIROO-UHFFFAOYSA-N
XLogP8.47
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.64
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9,9-dibutyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 157160442
2-bromo-9-pyridin-2-ylcarbazole;9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-4H-acridin-4-ide;9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine;platinum(2+)
CID 161238129
3-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 140709626
3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 140709598
14-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dimethyl-10-pyridin-2-yl-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 158958133
9,9-dipropyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 160772927
9,9-dibutyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 160772929
11-(9-pyridin-2-ylcarbazol-2-yl)-2-(triazol-2-yl)-5,6-dihydrobenzo[b][1]benzazepine
CID 140683788
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
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
10-[9-[2-[3,5-bis[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9,9-dimethylacridine
CID 153482873
22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene
CID 118602624

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine?
The IUPAC name of 9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine (CID 118539189) is 9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine.
What is the SMILES notation for 9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine?
The canonical SMILES for 9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine is CC1(C)c2ccccc2N(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2cc(-n3cccn3)ccc21.
What is the InChIKey of 9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine?
The InChIKey is FHJORAWUVXIROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N5/c1-35(2)28-11-4-6-13-31(28)39(33-22-24(16-18-29(33)35)38-21-9-20-37-38)25-15-17-27-26-10-3-5-12-30(26)40(32(27)23-25)34-14-7-8-19-36-34/h3-23H,1-2H3.
What are the key properties of 9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine?
9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine has a molecular weight of 517.64 g/mol, XLogP of 8.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine is sourced from PubChem (CID 118539189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).