6-[3-(9,9-dimethylacridin-10-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole

C41H31N3 — CID 118315296

IUPAC6-[3-(9,9-dimethylacridin-10-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
SMILESCC1(C)c2ccccc2N(c2cccc(-n3c4ccccc4c4c5ccn(-c6ccccc6)c5ccc43)c2)c2ccccc21
InChIInChI=1S/C41H31N3/c1-41(2)33-18-7-10-21-37(33)44(38-22-11-8-19-34(38)41)30-16-12-15-29(27-30)43-36-20-9-6-17-31(36)40-32-25-26-42(28-13-4-3-5-14-28)35(32)23-24-39(40)43/h3-27H,1-2H3
InChIKeyAJSVAEJIUWSTPX-UHFFFAOYSA-N
MW565.72 g/mol
LogP10.84
Rot. Bonds3

About 6-[3-(9,9-dimethylacridin-10-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole

6-[3-(9,9-dimethylacridin-10-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole (PubChem CID 118315296) has the molecular formula C41H31N3 and a molecular weight of 565.72 g/mol. Its IUPAC name is 6-[3-(9,9-dimethylacridin-10-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole.

Molecular Properties

Compound Name6-[3-(9,9-dimethylacridin-10-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
PubChem CID118315296
Molecular FormulaC41H31N3
Molecular Weight565.72 g/mol
Exact Mass565.25
IUPAC Name6-[3-(9,9-dimethylacridin-10-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
SMILESCC1(C)c2ccccc2N(c2cccc(-n3c4ccccc4c4c5ccn(-c6ccccc6)c5ccc43)c2)c2ccccc21
InChIInChI=1S/C41H31N3/c1-41(2)33-18-7-10-21-37(33)44(38-22-11-8-19-34(38)41)30-16-12-15-29(27-30)43-36-20-9-6-17-31(36)40-32-25-26-42(28-13-4-3-5-14-28)35(32)23-24-39(40)43/h3-27H,1-2H3
InChIKeyAJSVAEJIUWSTPX-UHFFFAOYSA-N
XLogP10.84
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.72
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole
CID 118315064
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
6-[3-(3,6-diphenylcarbazol-9-yl)-5-phenylphenyl]-3-phenylpyrrolo[2,3-c]carbazole;6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
CID 160506334
3-phenyl-6-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-c]carbazole
CID 118315256
6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
CID 118316130
3-[3-(9,9-dimethylacridin-10-yl)phenyl]-10-phenylpyrrolo[3,2-a]carbazole;3-(4-diphenylphosphorylphenyl)-10-phenylpyrrolo[3,2-a]carbazole;10-phenyl-3-[4-(10-phenylphenazin-5-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 161222187
3-phenyl-6-(6-phenyldibenzofuran-4-yl)pyrrolo[2,3-c]carbazole;10-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]phenoxazine
CID 159199843
N,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline
CID 118315279
29-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-22,22,33,33-tetramethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene
CID 140926861
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole
CID 118315266
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051

Frequently Asked Questions

What is the IUPAC name of 6-[3-(9,9-dimethylacridin-10-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole?
The IUPAC name of 6-[3-(9,9-dimethylacridin-10-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole (CID 118315296) is 6-[3-(9,9-dimethylacridin-10-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole.
What is the SMILES notation for 6-[3-(9,9-dimethylacridin-10-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole?
The canonical SMILES for 6-[3-(9,9-dimethylacridin-10-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole is CC1(C)c2ccccc2N(c2cccc(-n3c4ccccc4c4c5ccn(-c6ccccc6)c5ccc43)c2)c2ccccc21.
What is the InChIKey of 6-[3-(9,9-dimethylacridin-10-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole?
The InChIKey is AJSVAEJIUWSTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N3/c1-41(2)33-18-7-10-21-37(33)44(38-22-11-8-19-34(38)41)30-16-12-15-29(27-30)43-36-20-9-6-17-31(36)40-32-25-26-42(28-13-4-3-5-14-28)35(32)23-24-39(40)43/h3-27H,1-2H3.
What are the key properties of 6-[3-(9,9-dimethylacridin-10-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole?
6-[3-(9,9-dimethylacridin-10-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole has a molecular weight of 565.72 g/mol, XLogP of 10.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(9,9-dimethylacridin-10-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole is sourced from PubChem (CID 118315296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).