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

C43H40N4 — CID 160772929

IUPAC9,9-dibutyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
SMILESCCCCC1(CCCC)c2ccccc2N(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2cc(-c3ccccn3)ccc21
InChIInChI=1S/C43H40N4/c1-3-5-25-43(26-6-4-2)35-16-8-10-19-39(35)46(41-29-31(21-24-36(41)43)37-17-11-13-27-44-37)32-22-23-34-33-15-7-9-18-38(33)47(40(34)30-32)42-20-12-14-28-45-42/h7-24,27-30H,3-6,25-26H2,1-2H3
InChIKeyBGMPFOCWZQNDML-UHFFFAOYSA-N
MW612.82 g/mol
LogP11.69
Rot. Bonds9

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

9,9-dibutyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine (PubChem CID 160772929) has the molecular formula C43H40N4 and a molecular weight of 612.82 g/mol. Its IUPAC name is 9,9-dibutyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine.

Molecular Properties

Compound Name9,9-dibutyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
PubChem CID160772929
Molecular FormulaC43H40N4
Molecular Weight612.82 g/mol
Exact Mass612.33
IUPAC Name9,9-dibutyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
SMILESCCCCC1(CCCC)c2ccccc2N(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2cc(-c3ccccn3)ccc21
InChIInChI=1S/C43H40N4/c1-3-5-25-43(26-6-4-2)35-16-8-10-19-39(35)46(41-29-31(21-24-36(41)43)37-17-11-13-27-44-37)32-22-23-34-33-15-7-9-18-38(33)47(40(34)30-32)42-20-12-14-28-45-42/h7-24,27-30H,3-6,25-26H2,1-2H3
InChIKeyBGMPFOCWZQNDML-UHFFFAOYSA-N
XLogP11.69
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.82
LogP ≤ 511.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9,9-dipropyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 160772927
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
1-bromo-9,9-dihexyl-10-(4-pyridin-2-ylphenyl)acridine
CID 174799636
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
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-dibutyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine?
The IUPAC name of 9,9-dibutyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine (CID 160772929) is 9,9-dibutyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine.
What is the SMILES notation for 9,9-dibutyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine?
The canonical SMILES for 9,9-dibutyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine is CCCCC1(CCCC)c2ccccc2N(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2cc(-c3ccccn3)ccc21.
What is the InChIKey of 9,9-dibutyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine?
The InChIKey is BGMPFOCWZQNDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40N4/c1-3-5-25-43(26-6-4-2)35-16-8-10-19-39(35)46(41-29-31(21-24-36(41)43)37-17-11-13-27-44-37)32-22-23-34-33-15-7-9-18-38(33)47(40(34)30-32)42-20-12-14-28-45-42/h7-24,27-30H,3-6,25-26H2,1-2H3.
What are the key properties of 9,9-dibutyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine?
9,9-dibutyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine has a molecular weight of 612.82 g/mol, XLogP of 11.69, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dibutyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine is sourced from PubChem (CID 160772929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).