3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole

C55H37N3 — CID 71127530

IUPAC3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5cc(N6c7ccccc7C(c7ccccc7)(c7ccccc7)c7ccccc76)ccc5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/C55H37N3/c1-5-19-38(20-6-1)55(39-21-7-2-8-22-39)47-28-14-17-31-51(47)56(52-32-18-15-29-48(52)55)42-33-36-50-46(37-42)45-35-34-44-43-27-13-16-30-49(43)57(40-23-9-3-10-24-40)53(44)54(45)58(50)41-25-11-4-12-26-41/h1-37H
InChIKeyJAQCEEVINUQLLW-UHFFFAOYSA-N
MW739.92 g/mol
LogP14.05
Rot. Bonds5

About 3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole

3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole (PubChem CID 71127530) has the molecular formula C55H37N3 and a molecular weight of 739.92 g/mol. Its IUPAC name is 3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole
PubChem CID71127530
Molecular FormulaC55H37N3
Molecular Weight739.92 g/mol
Exact Mass739.30
IUPAC Name3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5cc(N6c7ccccc7C(c7ccccc7)(c7ccccc7)c7ccccc76)ccc5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/C55H37N3/c1-5-19-38(20-6-1)55(39-21-7-2-8-22-39)47-28-14-17-31-51(47)56(52-32-18-15-29-48(52)55)42-33-36-50-46(37-42)45-35-34-44-43-27-13-16-30-49(43)57(40-23-9-3-10-24-40)53(44)54(45)58(50)41-25-11-4-12-26-41/h1-37H
InChIKeyJAQCEEVINUQLLW-UHFFFAOYSA-N
XLogP14.05
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine
CID 146511276
9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-3-yl)acridine
CID 153463090
3-bromo-9-phenylcarbazole;10,10-diphenyl-9H-anthracene;9,9-diphenyl-10-(9-phenylcarbazol-3-yl)acridine;methane
CID 158577516
10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine
CID 146511336
9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-2-yl)acridine
CID 153463100
10-[6-(9,9-diphenylacridin-10-yl)-9-ethylcarbazol-3-yl]-9,9-diphenylacridine
CID 59470098
13,13-diphenyl-5-(9,9,10-triphenylacridin-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 71036448
5-(2,7-dimethyl-9,9-diphenylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 140943868
10-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole
CID 118315612
4-(9,9-diphenylfluoren-3-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965403
9-dibenzothiophen-3-yl-9-phenyl-10-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]acridine
CID 146909198
11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole
CID 170268295

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole?
The IUPAC name of 3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole (CID 71127530) is 3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole.
What is the SMILES notation for 3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole?
The canonical SMILES for 3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3ccc4c5cc(N6c7ccccc7C(c7ccccc7)(c7ccccc7)c7ccccc76)ccc5n(-c5ccccc5)c4c32)cc1.
What is the InChIKey of 3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole?
The InChIKey is JAQCEEVINUQLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3/c1-5-19-38(20-6-1)55(39-21-7-2-8-22-39)47-28-14-17-31-51(47)56(52-32-18-15-29-48(52)55)42-33-36-50-46(37-42)45-35-34-44-43-27-13-16-30-49(43)57(40-23-9-3-10-24-40)53(44)54(45)58(50)41-25-11-4-12-26-41/h1-37H.
What are the key properties of 3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole?
3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole has a molecular weight of 739.92 g/mol, XLogP of 14.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole is sourced from PubChem (CID 71127530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).