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

C41H39N5 — CID 157160442

IUPAC9,9-dibutyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
SMILESCCCCC1(CCCC)c2ccccc2N(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2cc(-n3cccn3)ccc21
InChIInChI=1S/C41H39N5/c1-3-5-23-41(24-6-4-2)34-15-8-10-17-37(34)45(39-28-30(20-22-35(39)41)44-27-13-26-43-44)31-19-21-33-32-14-7-9-16-36(32)46(38(33)29-31)40-18-11-12-25-42-40/h7-22,25-29H,3-6,23-24H2,1-2H3
InChIKeyKDYLROKTMUCNKD-UHFFFAOYSA-N
MW601.80 g/mol
LogP10.81
Rot. Bonds9

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

9,9-dibutyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine (PubChem CID 157160442) has the molecular formula C41H39N5 and a molecular weight of 601.80 g/mol. Its IUPAC name is 9,9-dibutyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine.

Molecular Properties

Compound Name9,9-dibutyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
PubChem CID157160442
Molecular FormulaC41H39N5
Molecular Weight601.80 g/mol
Exact Mass601.32
IUPAC Name9,9-dibutyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
SMILESCCCCC1(CCCC)c2ccccc2N(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2cc(-n3cccn3)ccc21
InChIInChI=1S/C41H39N5/c1-3-5-23-41(24-6-4-2)34-15-8-10-17-37(34)45(39-28-30(20-22-35(39)41)44-27-13-26-43-44)31-19-21-33-32-14-7-9-16-36(32)46(38(33)29-31)40-18-11-12-25-42-40/h7-22,25-29H,3-6,23-24H2,1-2H3
InChIKeyKDYLROKTMUCNKD-UHFFFAOYSA-N
XLogP10.81
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.80
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 118539189
9,9-dibutyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 160772929
9,9-dipropyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 160772927
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
11-(9-pyridin-2-ylcarbazol-2-yl)-2-(triazol-2-yl)-5,6-dihydrobenzo[b][1]benzazepine
CID 140683788
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
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
10,14-diphenyl-21,21-bis(3-pyrazol-1-ylphenyl)-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 163497985
2-pyridin-2-yl-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine
CID 90089781
2-(benzotriazol-1-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine
CID 140683745

Frequently Asked Questions

What is the IUPAC name of 9,9-dibutyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine?
The IUPAC name of 9,9-dibutyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine (CID 157160442) is 9,9-dibutyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine.
What is the SMILES notation for 9,9-dibutyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine?
The canonical SMILES for 9,9-dibutyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine is CCCCC1(CCCC)c2ccccc2N(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2cc(-n3cccn3)ccc21.
What is the InChIKey of 9,9-dibutyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine?
The InChIKey is KDYLROKTMUCNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H39N5/c1-3-5-23-41(24-6-4-2)34-15-8-10-17-37(34)45(39-28-30(20-22-35(39)41)44-27-13-26-43-44)31-19-21-33-32-14-7-9-16-36(32)46(38(33)29-31)40-18-11-12-25-42-40/h7-22,25-29H,3-6,23-24H2,1-2H3.
What are the key properties of 9,9-dibutyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine?
9,9-dibutyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine has a molecular weight of 601.80 g/mol, XLogP of 10.81, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dibutyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine is sourced from PubChem (CID 157160442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).