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

C49H39N5 — CID 140709626

IUPAC3-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
SMILESCc1cc(-c2ccccc2)cc(C)c1-n1ccnc1-c1ccc2c(c1)N(c1ccc3c4ccccc4n(-c4ccccn4)c3c1)c1ccccc1C2(C)C
InChIInChI=1S/C49H39N5/c1-32-28-36(34-14-6-5-7-15-34)29-33(2)47(32)52-27-26-51-48(52)35-21-24-41-45(30-35)53(43-19-11-9-17-40(43)49(41,3)4)37-22-23-39-38-16-8-10-18-42(38)54(44(39)31-37)46-20-12-13-25-50-46/h5-31H,1-4H3
InChIKeyNYIXRLDUAXKJLF-UHFFFAOYSA-N
MW697.89 g/mol
LogP12.42
Rot. Bonds5

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

3-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine (PubChem CID 140709626) has the molecular formula C49H39N5 and a molecular weight of 697.89 g/mol. Its IUPAC name is 3-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine.

Molecular Properties

Compound Name3-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
PubChem CID140709626
Molecular FormulaC49H39N5
Molecular Weight697.89 g/mol
Exact Mass697.32
IUPAC Name3-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
SMILESCc1cc(-c2ccccc2)cc(C)c1-n1ccnc1-c1ccc2c(c1)N(c1ccc3c4ccccc4n(-c4ccccn4)c3c1)c1ccccc1C2(C)C
InChIInChI=1S/C49H39N5/c1-32-28-36(34-14-6-5-7-15-34)29-33(2)47(32)52-27-26-51-48(52)35-21-24-41-45(30-35)53(43-19-11-9-17-40(43)49(41,3)4)37-22-23-39-38-16-8-10-18-42(38)54(44(39)31-37)46-20-12-13-25-50-46/h5-31H,1-4H3
InChIKeyNYIXRLDUAXKJLF-UHFFFAOYSA-N
XLogP12.42
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.89
LogP ≤ 512.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
2-phenyl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 71478701
10-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine;9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine;9-[4-(3,5-diphenylphenyl)phenyl]carbazole
CID 160816832
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-[9-[3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9,9-dimethylacridine
CID 168836599
9,9-dimethyl-10-pyridin-2-yl-3-[3-pyrido[2,3-b]indol-9-yl-5-(trifluoromethyl)phenyl]acridine
CID 167377760
9-[4-[1-(2,4,6-triphenylphenyl)imidazol-2-yl]phenyl]carbazole
CID 140799910
9,9-dibutyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 157160442
3,7-diphenyl-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 149342051

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine?
The IUPAC name of 3-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine (CID 140709626) is 3-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine.
What is the SMILES notation for 3-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine?
The canonical SMILES for 3-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine is Cc1cc(-c2ccccc2)cc(C)c1-n1ccnc1-c1ccc2c(c1)N(c1ccc3c4ccccc4n(-c4ccccn4)c3c1)c1ccccc1C2(C)C.
What is the InChIKey of 3-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine?
The InChIKey is NYIXRLDUAXKJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H39N5/c1-32-28-36(34-14-6-5-7-15-34)29-33(2)47(32)52-27-26-51-48(52)35-21-24-41-45(30-35)53(43-19-11-9-17-40(43)49(41,3)4)37-22-23-39-38-16-8-10-18-42(38)54(44(39)31-37)46-20-12-13-25-50-46/h5-31H,1-4H3.
What are the key properties of 3-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine?
3-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine has a molecular weight of 697.89 g/mol, XLogP of 12.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine is sourced from PubChem (CID 140709626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).