3,9-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-11-phenylbenzo[a]carbazole

C48H49N7 — CID 135250189

IUPAC3,9-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-11-phenylbenzo[a]carbazole
SMILESCC1=NC(C)(C)C(C)(C)N1c1cccc(-c2ccc3c(ccc4c5ccc(-c6cccc(N7C(C)=NC(C)(C)C7(C)C)n6)cc5n(-c5ccccc5)c34)c2)n1
InChIInChI=1S/C48H49N7/c1-30-51-45(3,4)47(7,8)54(30)42-20-14-18-39(49-42)33-23-25-36-32(28-33)22-27-38-37-26-24-34(29-41(37)53(44(36)38)35-16-12-11-13-17-35)40-19-15-21-43(50-40)55-31(2)52-46(5,6)48(55,9)10/h11-29H,1-10H3
InChIKeyKACRUQFTGBMARO-UHFFFAOYSA-N
MW723.97 g/mol
LogP11.65
Rot. Bonds5

About 3,9-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-11-phenylbenzo[a]carbazole

3,9-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-11-phenylbenzo[a]carbazole (PubChem CID 135250189) has the molecular formula C48H49N7 and a molecular weight of 723.97 g/mol. Its IUPAC name is 3,9-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-11-phenylbenzo[a]carbazole.

Molecular Properties

Compound Name3,9-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-11-phenylbenzo[a]carbazole
PubChem CID135250189
Molecular FormulaC48H49N7
Molecular Weight723.97 g/mol
Exact Mass723.40
IUPAC Name3,9-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-11-phenylbenzo[a]carbazole
SMILESCC1=NC(C)(C)C(C)(C)N1c1cccc(-c2ccc3c(ccc4c5ccc(-c6cccc(N7C(C)=NC(C)(C)C7(C)C)n6)cc5n(-c5ccccc5)c34)c2)n1
InChIInChI=1S/C48H49N7/c1-30-51-45(3,4)47(7,8)54(30)42-20-14-18-39(49-42)33-23-25-36-32(28-33)22-27-38-37-26-24-34(29-41(37)53(44(36)38)35-16-12-11-13-17-35)40-19-15-21-43(50-40)55-31(2)52-46(5,6)48(55,9)10/h11-29H,1-10H3
InChIKeyKACRUQFTGBMARO-UHFFFAOYSA-N
XLogP11.65
TPSA61.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.97
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4,4,5,5-tetramethyl-2-[3-[11-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)phenyl]benzo[a]carbazol-9-yl]phenyl]-1,3-thiazole
CID 135250175
11-phenyl-9-pyridin-2-yl-3-(6-pyridin-4-ylnaphthalen-2-yl)benzo[a]carbazole
CID 163515098
11-[3-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]phenyl]benzo[a]carbazole
CID 144568618
3,9-bis[3-(3-methyl-2-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole
CID 147320703
3,9-bis[2-(5-methyl-3-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole
CID 163520863
2-[4-[3-[4-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-11-phenylbenzo[a]carbazol-9-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole
CID 135250156
11-phenyl-12-[6-(4-phenylphenyl)-2-pyridinyl]indolo[2,3-a]carbazole
CID 134240187
11-phenyl-9-(4-pyridin-4-ylphenyl)-3-(5-pyridin-2-yl-3-pyridinyl)benzo[a]carbazole
CID 148690574
3-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]-9-naphthalen-2-yl-11-phenylbenzo[a]carbazole
CID 147334824
2,4,4,5,5-pentamethyl-1-[4-[3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-11,11-diphenylbenzo[a]fluoren-9-yl]phenyl]imidazole
CID 135250416
9-[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-3-[9-[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]carbazol-3-yl]carbazole;9-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]-3-[9-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]carbazole;9-[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]-3-[9-[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]carbazol-3-yl]carbazole;9-[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]-3-[9-[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]carbazole
CID 158994668
9-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-3-[9-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]carbazol-3-yl]carbazole;9-[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-3-[9-[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]carbazol-3-yl]carbazole;9-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-3-[9-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]carbazol-3-yl]carbazole;9-[4-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)phenyl]-3-[9-[4-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)phenyl]carbazol-3-yl]carbazole
CID 158675235

Frequently Asked Questions

What is the IUPAC name of 3,9-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-11-phenylbenzo[a]carbazole?
The IUPAC name of 3,9-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-11-phenylbenzo[a]carbazole (CID 135250189) is 3,9-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-11-phenylbenzo[a]carbazole.
What is the SMILES notation for 3,9-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-11-phenylbenzo[a]carbazole?
The canonical SMILES for 3,9-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-11-phenylbenzo[a]carbazole is CC1=NC(C)(C)C(C)(C)N1c1cccc(-c2ccc3c(ccc4c5ccc(-c6cccc(N7C(C)=NC(C)(C)C7(C)C)n6)cc5n(-c5ccccc5)c34)c2)n1.
What is the InChIKey of 3,9-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-11-phenylbenzo[a]carbazole?
The InChIKey is KACRUQFTGBMARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H49N7/c1-30-51-45(3,4)47(7,8)54(30)42-20-14-18-39(49-42)33-23-25-36-32(28-33)22-27-38-37-26-24-34(29-41(37)53(44(36)38)35-16-12-11-13-17-35)40-19-15-21-43(50-40)55-31(2)52-46(5,6)48(55,9)10/h11-29H,1-10H3.
What are the key properties of 3,9-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-11-phenylbenzo[a]carbazole?
3,9-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-11-phenylbenzo[a]carbazole has a molecular weight of 723.97 g/mol, XLogP of 11.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 135250189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).