10-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole

C47H35N3 — CID 118315612

IUPAC10-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole
SMILESCC1(C)c2ccccc2N(c2ccc(-n3c4ccccc4c4ccc5c(cc(-c6ccccc6)n5-c5ccccc5)c43)cc2)c2ccccc21
InChIInChI=1S/C47H35N3/c1-47(2)39-20-10-13-23-43(39)49(44-24-14-11-21-40(44)47)34-25-27-35(28-26-34)50-41-22-12-9-19-36(41)37-29-30-42-38(46(37)50)31-45(32-15-5-3-6-16-32)48(42)33-17-7-4-8-18-33/h3-31H,1-2H3
InChIKeyYSYAYAYRPBLDET-UHFFFAOYSA-N
MW641.82 g/mol
LogP12.50
Rot. Bonds4

About 10-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole

10-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole (PubChem CID 118315612) has the molecular formula C47H35N3 and a molecular weight of 641.82 g/mol. Its IUPAC name is 10-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name10-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole
PubChem CID118315612
Molecular FormulaC47H35N3
Molecular Weight641.82 g/mol
Exact Mass641.28
IUPAC Name10-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole
SMILESCC1(C)c2ccccc2N(c2ccc(-n3c4ccccc4c4ccc5c(cc(-c6ccccc6)n5-c5ccccc5)c43)cc2)c2ccccc21
InChIInChI=1S/C47H35N3/c1-47(2)39-20-10-13-23-43(39)49(44-24-14-11-21-40(44)47)34-25-27-35(28-26-34)50-41-22-12-9-19-36(41)37-29-30-42-38(46(37)50)31-45(32-15-5-3-6-16-32)48(42)33-17-7-4-8-18-33/h3-31H,1-2H3
InChIKeyYSYAYAYRPBLDET-UHFFFAOYSA-N
XLogP12.50
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.82
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
10-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine;9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine;9-[4-(3,5-diphenylphenyl)phenyl]carbazole
CID 160816832
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
5-(9,9-dimethyl-10-phenylacridin-2-yl)-13,13-dimethyl-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 67326458
3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole
CID 71127530
12-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-13-phenylindolo[3,2-c]acridine
CID 67472194
10-(4-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-[3-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine;10-[4-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine
CID 161427621
5-carbazol-9-yl-13,13-dimethyl-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 67325809
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
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
10,10,21,21-tetramethyl-14-(9-phenylcarbazol-3-yl)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130450658

Frequently Asked Questions

What is the IUPAC name of 10-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole?
The IUPAC name of 10-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole (CID 118315612) is 10-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole.
What is the SMILES notation for 10-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole?
The canonical SMILES for 10-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole is CC1(C)c2ccccc2N(c2ccc(-n3c4ccccc4c4ccc5c(cc(-c6ccccc6)n5-c5ccccc5)c43)cc2)c2ccccc21.
What is the InChIKey of 10-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole?
The InChIKey is YSYAYAYRPBLDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N3/c1-47(2)39-20-10-13-23-43(39)49(44-24-14-11-21-40(44)47)34-25-27-35(28-26-34)50-41-22-12-9-19-36(41)37-29-30-42-38(46(37)50)31-45(32-15-5-3-6-16-32)48(42)33-17-7-4-8-18-33/h3-31H,1-2H3.
What are the key properties of 10-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole?
10-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole has a molecular weight of 641.82 g/mol, XLogP of 12.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole is sourced from PubChem (CID 118315612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).