11,11-dimethyl-5-[3-(2,3,7-triphenylpyrido[3,4-b]pyrazin-5-yl)phenyl]indeno[1,2-b]carbazole

C52H36N4 — CID 134578883

IUPAC11,11-dimethyl-5-[3-(2,3,7-triphenylpyrido[3,4-b]pyrazin-5-yl)phenyl]indeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc(-c2nc(-c3ccccc3)cc3nc(-c4ccccc4)c(-c4ccccc4)nc23)c1
InChIInChI=1S/C52H36N4/c1-52(2)42-27-14-12-25-38(42)40-31-47-41(30-43(40)52)39-26-13-15-28-46(39)56(47)37-24-16-23-36(29-37)50-51-45(32-44(53-50)33-17-6-3-7-18-33)54-48(34-19-8-4-9-20-34)49(55-51)35-21-10-5-11-22-35/h3-32H,1-2H3
InChIKeyWWELKKRILMFHDC-UHFFFAOYSA-N
MW716.89 g/mol
LogP13.10
Rot. Bonds5

About 11,11-dimethyl-5-[3-(2,3,7-triphenylpyrido[3,4-b]pyrazin-5-yl)phenyl]indeno[1,2-b]carbazole

11,11-dimethyl-5-[3-(2,3,7-triphenylpyrido[3,4-b]pyrazin-5-yl)phenyl]indeno[1,2-b]carbazole (PubChem CID 134578883) has the molecular formula C52H36N4 and a molecular weight of 716.89 g/mol. Its IUPAC name is 11,11-dimethyl-5-[3-(2,3,7-triphenylpyrido[3,4-b]pyrazin-5-yl)phenyl]indeno[1,2-b]carbazole.

Molecular Properties

Compound Name11,11-dimethyl-5-[3-(2,3,7-triphenylpyrido[3,4-b]pyrazin-5-yl)phenyl]indeno[1,2-b]carbazole
PubChem CID134578883
Molecular FormulaC52H36N4
Molecular Weight716.89 g/mol
Exact Mass716.29
IUPAC Name11,11-dimethyl-5-[3-(2,3,7-triphenylpyrido[3,4-b]pyrazin-5-yl)phenyl]indeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc(-c2nc(-c3ccccc3)cc3nc(-c4ccccc4)c(-c4ccccc4)nc23)c1
InChIInChI=1S/C52H36N4/c1-52(2)42-27-14-12-25-38(42)40-31-47-41(30-43(40)52)39-26-13-15-28-46(39)56(47)37-24-16-23-36(29-37)50-51-45(32-44(53-50)33-17-6-3-7-18-33)54-48(34-19-8-4-9-20-34)49(55-51)35-21-10-5-11-22-35/h3-32H,1-2H3
InChIKeyWWELKKRILMFHDC-UHFFFAOYSA-N
XLogP13.10
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.89
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-2-phenanthridin-6-ylindeno[2,1-b]carbazole
CID 121337578
11,11-dimethyl-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]indeno[1,2-b]carbazole
CID 164803024
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
7,7-dimethyl-5-[3-(5-methyl-4,6-diphenylpyrimidin-2-yl)phenyl]indeno[2,1-b]carbazole
CID 163991530
5-[3-[2,6-bis[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126630697
9-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]carbazole
CID 67678509
9-[3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 144649974
2-(9,9-dimethylfluoren-3-yl)-9-[2-[2-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-4-[3-[2-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]carbazole
CID 126632204
28-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22,24,26,29-pentadecaene
CID 118260515
5-[3-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 130334469
5-[3-[2,6-bis[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-[4-[2,6-bis[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 159514496

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-5-[3-(2,3,7-triphenylpyrido[3,4-b]pyrazin-5-yl)phenyl]indeno[1,2-b]carbazole?
The IUPAC name of 11,11-dimethyl-5-[3-(2,3,7-triphenylpyrido[3,4-b]pyrazin-5-yl)phenyl]indeno[1,2-b]carbazole (CID 134578883) is 11,11-dimethyl-5-[3-(2,3,7-triphenylpyrido[3,4-b]pyrazin-5-yl)phenyl]indeno[1,2-b]carbazole.
What is the SMILES notation for 11,11-dimethyl-5-[3-(2,3,7-triphenylpyrido[3,4-b]pyrazin-5-yl)phenyl]indeno[1,2-b]carbazole?
The canonical SMILES for 11,11-dimethyl-5-[3-(2,3,7-triphenylpyrido[3,4-b]pyrazin-5-yl)phenyl]indeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc(-c2nc(-c3ccccc3)cc3nc(-c4ccccc4)c(-c4ccccc4)nc23)c1.
What is the InChIKey of 11,11-dimethyl-5-[3-(2,3,7-triphenylpyrido[3,4-b]pyrazin-5-yl)phenyl]indeno[1,2-b]carbazole?
The InChIKey is WWELKKRILMFHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N4/c1-52(2)42-27-14-12-25-38(42)40-31-47-41(30-43(40)52)39-26-13-15-28-46(39)56(47)37-24-16-23-36(29-37)50-51-45(32-44(53-50)33-17-6-3-7-18-33)54-48(34-19-8-4-9-20-34)49(55-51)35-21-10-5-11-22-35/h3-32H,1-2H3.
What are the key properties of 11,11-dimethyl-5-[3-(2,3,7-triphenylpyrido[3,4-b]pyrazin-5-yl)phenyl]indeno[1,2-b]carbazole?
11,11-dimethyl-5-[3-(2,3,7-triphenylpyrido[3,4-b]pyrazin-5-yl)phenyl]indeno[1,2-b]carbazole has a molecular weight of 716.89 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-5-[3-(2,3,7-triphenylpyrido[3,4-b]pyrazin-5-yl)phenyl]indeno[1,2-b]carbazole is sourced from PubChem (CID 134578883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).