2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole

C60H44N2 — CID 67473689

IUPAC2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
SMILESCC1(C)c2cc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4c-5ccc5c6ccccc6n(-c6ccccc6)c45)cc3)ccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C60H44N2/c1-59(2)51-35-39(27-29-43(51)47-31-33-49-45-19-11-13-21-53(45)61(57(49)55(47)59)41-15-7-5-8-16-41)37-23-25-38(26-24-37)40-28-30-44-48-32-34-50-46-20-12-14-22-54(46)62(42-17-9-6-10-18-42)58(50)56(48)60(3,4)52(44)36-40/h5-36H,1-4H3
InChIKeyDBQOIJFKBHWMGR-UHFFFAOYSA-N
MW793.03 g/mol
LogP15.83
Rot. Bonds4

About 2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole

2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole (PubChem CID 67473689) has the molecular formula C60H44N2 and a molecular weight of 793.03 g/mol. Its IUPAC name is 2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole.

Molecular Properties

Compound Name2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
PubChem CID67473689
Molecular FormulaC60H44N2
Molecular Weight793.03 g/mol
Exact Mass792.35
IUPAC Name2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
SMILESCC1(C)c2cc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4c-5ccc5c6ccccc6n(-c6ccccc6)c45)cc3)ccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C60H44N2/c1-59(2)51-35-39(27-29-43(51)47-31-33-49-45-19-11-13-21-53(45)61(57(49)55(47)59)41-15-7-5-8-16-41)37-23-25-38(26-24-37)40-28-30-44-48-32-34-50-46-20-12-14-22-54(46)62(42-17-9-6-10-18-42)58(50)56(48)60(3,4)52(44)36-40/h5-36H,1-4H3
InChIKeyDBQOIJFKBHWMGR-UHFFFAOYSA-N
XLogP15.83
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.03
LogP ≤ 515.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]ethynyl]-N,N-diphenylaniline
CID 71250126
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398
12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole
CID 90324779
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
CID 129312013
12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole
CID 121343398
4-[2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline
CID 123489530
12,12-dimethyl-2,8-diphenyl-11-[4-(2-phenylbenzimidazol-1-yl)phenyl]indeno[2,1-a]carbazole
CID 90324800
N-[3-[3-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118490399
4-[2-[7-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenanthren-2-yl]ethenyl]-N,N-diphenylaniline
CID 123947405
11-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 67472124
N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline
CID 66585182

Frequently Asked Questions

What is the IUPAC name of 2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole?
The IUPAC name of 2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole (CID 67473689) is 2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole.
What is the SMILES notation for 2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole?
The canonical SMILES for 2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole is CC1(C)c2cc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4c-5ccc5c6ccccc6n(-c6ccccc6)c45)cc3)ccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c21.
What is the InChIKey of 2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole?
The InChIKey is DBQOIJFKBHWMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2/c1-59(2)51-35-39(27-29-43(51)47-31-33-49-45-19-11-13-21-53(45)61(57(49)55(47)59)41-15-7-5-8-16-41)37-23-25-38(26-24-37)40-28-30-44-48-32-34-50-46-20-12-14-22-54(46)62(42-17-9-6-10-18-42)58(50)56(48)60(3,4)52(44)36-40/h5-36H,1-4H3.
What are the key properties of 2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole?
2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole has a molecular weight of 793.03 g/mol, XLogP of 15.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole is sourced from PubChem (CID 67473689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).