9,9-dipropyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine

C41H36N4 — CID 160772927

IUPAC9,9-dipropyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
SMILESCCCC1(CCC)c2ccccc2N(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2cc(-c3ccccn3)ccc21
InChIInChI=1S/C41H36N4/c1-3-23-41(24-4-2)33-14-6-8-17-37(33)44(39-27-29(19-22-34(39)41)35-15-9-11-25-42-35)30-20-21-32-31-13-5-7-16-36(31)45(38(32)28-30)40-18-10-12-26-43-40/h5-22,25-28H,3-4,23-24H2,1-2H3
InChIKeyWWJUDDZNEQPEQJ-UHFFFAOYSA-N
MW584.77 g/mol
LogP10.91
Rot. Bonds7

About 9,9-dipropyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine

9,9-dipropyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine (PubChem CID 160772927) has the molecular formula C41H36N4 and a molecular weight of 584.77 g/mol. Its IUPAC name is 9,9-dipropyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine.

Molecular Properties

Compound Name9,9-dipropyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
PubChem CID160772927
Molecular FormulaC41H36N4
Molecular Weight584.77 g/mol
Exact Mass584.29
IUPAC Name9,9-dipropyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
SMILESCCCC1(CCC)c2ccccc2N(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2cc(-c3ccccn3)ccc21
InChIInChI=1S/C41H36N4/c1-3-23-41(24-4-2)33-14-6-8-17-37(33)44(39-27-29(19-22-34(39)41)35-15-9-11-25-42-35)30-20-21-32-31-13-5-7-16-36(31)45(38(32)28-30)40-18-10-12-26-43-40/h5-22,25-28H,3-4,23-24H2,1-2H3
InChIKeyWWJUDDZNEQPEQJ-UHFFFAOYSA-N
XLogP10.91
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.77
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9,9-dibutyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 160772929
9,9-dibutyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 157160442
2-pyridin-2-yl-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine
CID 90089781
3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 140709598
9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 118539189
3-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 140709626
11-(9-pyridin-2-ylcarbazol-2-yl)-2-quinolin-2-ylbenzo[b][1]benzazepine
CID 140683290
20-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-17-pyridin-2-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 163456260
2-phenyl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 71478701
CID 162118924
CID 162118924
15,21-diphenyl-5,25-dipyridin-2-yl-5,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene
CID 156629784
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

Frequently Asked Questions

What is the IUPAC name of 9,9-dipropyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine?
The IUPAC name of 9,9-dipropyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine (CID 160772927) is 9,9-dipropyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine.
What is the SMILES notation for 9,9-dipropyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine?
The canonical SMILES for 9,9-dipropyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine is CCCC1(CCC)c2ccccc2N(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2cc(-c3ccccn3)ccc21.
What is the InChIKey of 9,9-dipropyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine?
The InChIKey is WWJUDDZNEQPEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36N4/c1-3-23-41(24-4-2)33-14-6-8-17-37(33)44(39-27-29(19-22-34(39)41)35-15-9-11-25-42-35)30-20-21-32-31-13-5-7-16-36(31)45(38(32)28-30)40-18-10-12-26-43-40/h5-22,25-28H,3-4,23-24H2,1-2H3.
What are the key properties of 9,9-dipropyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine?
9,9-dipropyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine has a molecular weight of 584.77 g/mol, XLogP of 10.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dipropyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine is sourced from PubChem (CID 160772927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).