2-(9,9-dimethylacridin-10-yl)-11,11-dimethyl-5-(4-methylphenyl)indeno[1,2-b]carbazole

C43H36N2 — CID 58501385

IUPAC2-(9,9-dimethylacridin-10-yl)-11,11-dimethyl-5-(4-methylphenyl)indeno[1,2-b]carbazole
SMILESCc1ccc(-n2c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3c3cc4c(cc32)-c2ccccc2C4(C)C)cc1
InChIInChI=1S/C43H36N2/c1-27-18-20-28(21-19-27)44-38-23-22-29(45-39-16-10-8-14-35(39)43(4,5)36-15-9-11-17-40(36)45)24-32(38)33-25-37-31(26-41(33)44)30-12-6-7-13-34(30)42(37,2)3/h6-26H,1-5H3
InChIKeyZUAAMJXOKAEKES-UHFFFAOYSA-N
MW580.78 g/mol
LogP11.51
Rot. Bonds2

About 2-(9,9-dimethylacridin-10-yl)-11,11-dimethyl-5-(4-methylphenyl)indeno[1,2-b]carbazole

2-(9,9-dimethylacridin-10-yl)-11,11-dimethyl-5-(4-methylphenyl)indeno[1,2-b]carbazole (PubChem CID 58501385) has the molecular formula C43H36N2 and a molecular weight of 580.78 g/mol. Its IUPAC name is 2-(9,9-dimethylacridin-10-yl)-11,11-dimethyl-5-(4-methylphenyl)indeno[1,2-b]carbazole.

Molecular Properties

Compound Name2-(9,9-dimethylacridin-10-yl)-11,11-dimethyl-5-(4-methylphenyl)indeno[1,2-b]carbazole
PubChem CID58501385
Molecular FormulaC43H36N2
Molecular Weight580.78 g/mol
Exact Mass580.29
IUPAC Name2-(9,9-dimethylacridin-10-yl)-11,11-dimethyl-5-(4-methylphenyl)indeno[1,2-b]carbazole
SMILESCc1ccc(-n2c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3c3cc4c(cc32)-c2ccccc2C4(C)C)cc1
InChIInChI=1S/C43H36N2/c1-27-18-20-28(21-19-27)44-38-23-22-29(45-39-16-10-8-14-35(39)43(4,5)36-15-9-11-17-40(36)45)24-32(38)33-25-37-31(26-41(33)44)30-12-6-7-13-34(30)42(37,2)3/h6-26H,1-5H3
InChIKeyZUAAMJXOKAEKES-UHFFFAOYSA-N
XLogP11.51
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.78
LogP ≤ 511.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
11,11,19,19-tetramethyl-15,26-diphenyl-15,26-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene
CID 66805110
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 167052788
9,11,11-trimethyl-5-phenylindeno[1,2-b]carbazole
CID 71250183
7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
CID 118214461
10,10,21,21-tetramethyl-14-(6-methylnaphthalen-2-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 139460040
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
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

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylacridin-10-yl)-11,11-dimethyl-5-(4-methylphenyl)indeno[1,2-b]carbazole?
The IUPAC name of 2-(9,9-dimethylacridin-10-yl)-11,11-dimethyl-5-(4-methylphenyl)indeno[1,2-b]carbazole (CID 58501385) is 2-(9,9-dimethylacridin-10-yl)-11,11-dimethyl-5-(4-methylphenyl)indeno[1,2-b]carbazole.
What is the SMILES notation for 2-(9,9-dimethylacridin-10-yl)-11,11-dimethyl-5-(4-methylphenyl)indeno[1,2-b]carbazole?
The canonical SMILES for 2-(9,9-dimethylacridin-10-yl)-11,11-dimethyl-5-(4-methylphenyl)indeno[1,2-b]carbazole is Cc1ccc(-n2c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3c3cc4c(cc32)-c2ccccc2C4(C)C)cc1.
What is the InChIKey of 2-(9,9-dimethylacridin-10-yl)-11,11-dimethyl-5-(4-methylphenyl)indeno[1,2-b]carbazole?
The InChIKey is ZUAAMJXOKAEKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36N2/c1-27-18-20-28(21-19-27)44-38-23-22-29(45-39-16-10-8-14-35(39)43(4,5)36-15-9-11-17-40(36)45)24-32(38)33-25-37-31(26-41(33)44)30-12-6-7-13-34(30)42(37,2)3/h6-26H,1-5H3.
What are the key properties of 2-(9,9-dimethylacridin-10-yl)-11,11-dimethyl-5-(4-methylphenyl)indeno[1,2-b]carbazole?
2-(9,9-dimethylacridin-10-yl)-11,11-dimethyl-5-(4-methylphenyl)indeno[1,2-b]carbazole has a molecular weight of 580.78 g/mol, XLogP of 11.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylacridin-10-yl)-11,11-dimethyl-5-(4-methylphenyl)indeno[1,2-b]carbazole is sourced from PubChem (CID 58501385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).