3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine

C43H35N5 — CID 140709598

IUPAC3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
SMILESCc1cccc(C)c1-n1cnc(-c2ccc3c(c2)N(c2ccc4c5ccccc5n(-c5ccccn5)c4c2)c2ccccc2C3(C)C)c1
InChIInChI=1S/C43H35N5/c1-28-12-11-13-29(2)42(28)46-26-36(45-27-46)30-19-22-35-40(24-30)47(38-17-8-6-15-34(38)43(35,3)4)31-20-21-33-32-14-5-7-16-37(32)48(39(33)25-31)41-18-9-10-23-44-41/h5-27H,1-4H3
InChIKeyCJXKZBKAOLKCAR-UHFFFAOYSA-N
MW621.79 g/mol
LogP10.76
Rot. Bonds4

About 3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine

3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine (PubChem CID 140709598) has the molecular formula C43H35N5 and a molecular weight of 621.79 g/mol. Its IUPAC name is 3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine.

Molecular Properties

Compound Name3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
PubChem CID140709598
Molecular FormulaC43H35N5
Molecular Weight621.79 g/mol
Exact Mass621.29
IUPAC Name3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
SMILESCc1cccc(C)c1-n1cnc(-c2ccc3c(c2)N(c2ccc4c5ccccc5n(-c5ccccn5)c4c2)c2ccccc2C3(C)C)c1
InChIInChI=1S/C43H35N5/c1-28-12-11-13-29(2)42(28)46-26-36(45-27-46)30-19-22-35-40(24-30)47(38-17-8-6-15-34(38)43(35,3)4)31-20-21-33-32-14-5-7-16-37(32)48(39(33)25-31)41-18-9-10-23-44-41/h5-27H,1-4H3
InChIKeyCJXKZBKAOLKCAR-UHFFFAOYSA-N
XLogP10.76
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.79
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-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
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
2-pyridin-2-yl-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine
CID 90089781
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
9,9-dimethyl-10-pyridin-2-yl-3-[3-pyrido[2,3-b]indol-9-yl-5-(trifluoromethyl)phenyl]acridine
CID 167377760
CID 162118924
CID 162118924
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
9,9-dibutyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 157160442
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 3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine?
The IUPAC name of 3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine (CID 140709598) is 3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine.
What is the SMILES notation for 3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine?
The canonical SMILES for 3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine is Cc1cccc(C)c1-n1cnc(-c2ccc3c(c2)N(c2ccc4c5ccccc5n(-c5ccccn5)c4c2)c2ccccc2C3(C)C)c1.
What is the InChIKey of 3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine?
The InChIKey is CJXKZBKAOLKCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N5/c1-28-12-11-13-29(2)42(28)46-26-36(45-27-46)30-19-22-35-40(24-30)47(38-17-8-6-15-34(38)43(35,3)4)31-20-21-33-32-14-5-7-16-37(32)48(39(33)25-31)41-18-9-10-23-44-41/h5-27H,1-4H3.
What are the key properties of 3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine?
3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine has a molecular weight of 621.79 g/mol, XLogP of 10.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine is sourced from PubChem (CID 140709598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).