9-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole

C41H31N3 — CID 118315064

IUPAC9-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole
SMILESCC1(C)c2ccccc2N(c2ccc(-n3c4ccccc4c4cc5ccn(-c6ccccc6)c5cc43)cc2)c2ccccc21
InChIInChI=1S/C41H31N3/c1-41(2)34-15-7-10-18-37(34)44(38-19-11-8-16-35(38)41)31-22-20-30(21-23-31)43-36-17-9-6-14-32(36)33-26-28-24-25-42(39(28)27-40(33)43)29-12-4-3-5-13-29/h3-27H,1-2H3
InChIKeyTYWLEPKWOUBPBP-UHFFFAOYSA-N
MW565.72 g/mol
LogP10.84
Rot. Bonds3

About 9-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole

9-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole (PubChem CID 118315064) has the molecular formula C41H31N3 and a molecular weight of 565.72 g/mol. Its IUPAC name is 9-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole.

Molecular Properties

Compound Name9-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole
PubChem CID118315064
Molecular FormulaC41H31N3
Molecular Weight565.72 g/mol
Exact Mass565.25
IUPAC Name9-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole
SMILESCC1(C)c2ccccc2N(c2ccc(-n3c4ccccc4c4cc5ccn(-c6ccccc6)c5cc43)cc2)c2ccccc21
InChIInChI=1S/C41H31N3/c1-41(2)34-15-7-10-18-37(34)44(38-19-11-8-16-35(38)41)31-22-20-30(21-23-31)43-36-17-9-6-14-32(36)33-26-28-24-25-42(39(28)27-40(33)43)29-12-4-3-5-13-29/h3-27H,1-2H3
InChIKeyTYWLEPKWOUBPBP-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

10-(4-carbazol-9-ylphenyl)-18-phenyl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222800
9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole
CID 118315081
6-[3-(9,9-dimethylacridin-10-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
CID 118315296
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
17-carbazol-9-yl-30,30-dimethyl-23-phenyl-23-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene
CID 134428385
11-(4-carbazol-9-ylphenyl)-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
CID 123940572
phenyl-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]methanone
CID 118315065
14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,18-diphenyl-10,14,18-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,19,21-decaene
CID 90267307
9-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole
CID 118315026
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
1-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-b]carbazole
CID 118315018
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312

Frequently Asked Questions

What is the IUPAC name of 9-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole?
The IUPAC name of 9-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole (CID 118315064) is 9-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole.
What is the SMILES notation for 9-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole?
The canonical SMILES for 9-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole is CC1(C)c2ccccc2N(c2ccc(-n3c4ccccc4c4cc5ccn(-c6ccccc6)c5cc43)cc2)c2ccccc21.
What is the InChIKey of 9-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole?
The InChIKey is TYWLEPKWOUBPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N3/c1-41(2)34-15-7-10-18-37(34)44(38-19-11-8-16-35(38)41)31-22-20-30(21-23-31)43-36-17-9-6-14-32(36)33-26-28-24-25-42(39(28)27-40(33)43)29-12-4-3-5-13-29/h3-27H,1-2H3.
What are the key properties of 9-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole?
9-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-phenylpyrrolo[2,3-b]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 9-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole is sourced from PubChem (CID 118315064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).