2-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10-dimethyl-11-phenylindolo[1,2-a]indole

C44H36N2 — CID 70911908

IUPAC2-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10-dimethyl-11-phenylindolo[1,2-a]indole
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)c(-c3ccccc3)c3n4-c4ccccc4C3(C)C)cc21
InChIInChI=1S/C44H36N2/c1-43(2)34-19-11-13-21-38(34)45(32-17-9-6-10-18-32)40-26-24-31(28-36(40)43)30-23-25-37-33(27-30)41(29-15-7-5-8-16-29)42-44(3,4)35-20-12-14-22-39(35)46(37)42/h5-28H,1-4H3
InChIKeyDFZFMSRZKVJRIG-UHFFFAOYSA-N
MW592.79 g/mol
LogP11.71
Rot. Bonds3

About 2-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10-dimethyl-11-phenylindolo[1,2-a]indole

2-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10-dimethyl-11-phenylindolo[1,2-a]indole (PubChem CID 70911908) has the molecular formula C44H36N2 and a molecular weight of 592.79 g/mol. Its IUPAC name is 2-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10-dimethyl-11-phenylindolo[1,2-a]indole.

Molecular Properties

Compound Name2-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10-dimethyl-11-phenylindolo[1,2-a]indole
PubChem CID70911908
Molecular FormulaC44H36N2
Molecular Weight592.79 g/mol
Exact Mass592.29
IUPAC Name2-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10-dimethyl-11-phenylindolo[1,2-a]indole
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)c(-c3ccccc3)c3n4-c4ccccc4C3(C)C)cc21
InChIInChI=1S/C44H36N2/c1-43(2)34-19-11-13-21-38(34)45(32-17-9-6-10-18-32)40-26-24-31(28-36(40)43)30-23-25-37-33(27-30)41(29-15-7-5-8-16-29)42-44(3,4)35-20-12-14-22-39(35)46(37)42/h5-28H,1-4H3
InChIKeyDFZFMSRZKVJRIG-UHFFFAOYSA-N
XLogP11.71
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.79
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
8,8,14,14-tetramethyl-5,17-diphenyl-11-[9-phenyl-6-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]carbazol-3-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 90330383
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
[3-(10,10-dimethyl-11-phenylindolo[1,2-a]indol-2-yl)phenyl]-(3-phenylphenyl)methanone
CID 70911979
10,10-dimethyl-11-phenyl-2-(1-phenylbenzimidazol-2-yl)indolo[1,2-a]indole
CID 70911980
8,8,14,14-tetramethyl-5,17-diphenyl-11-[9-phenyl-6-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)carbazol-3-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 90330373
2-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]-9,9-dimethyl-10-phenylacridine
CID 89024085
2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine
CID 70936057
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166
10-[3-[4-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 170682872

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10-dimethyl-11-phenylindolo[1,2-a]indole?
The IUPAC name of 2-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10-dimethyl-11-phenylindolo[1,2-a]indole (CID 70911908) is 2-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10-dimethyl-11-phenylindolo[1,2-a]indole.
What is the SMILES notation for 2-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10-dimethyl-11-phenylindolo[1,2-a]indole?
The canonical SMILES for 2-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10-dimethyl-11-phenylindolo[1,2-a]indole is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)c(-c3ccccc3)c3n4-c4ccccc4C3(C)C)cc21.
What is the InChIKey of 2-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10-dimethyl-11-phenylindolo[1,2-a]indole?
The InChIKey is DFZFMSRZKVJRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N2/c1-43(2)34-19-11-13-21-38(34)45(32-17-9-6-10-18-32)40-26-24-31(28-36(40)43)30-23-25-37-33(27-30)41(29-15-7-5-8-16-29)42-44(3,4)35-20-12-14-22-39(35)46(37)42/h5-28H,1-4H3.
What are the key properties of 2-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10-dimethyl-11-phenylindolo[1,2-a]indole?
2-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10-dimethyl-11-phenylindolo[1,2-a]indole has a molecular weight of 592.79 g/mol, XLogP of 11.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10-dimethyl-11-phenylindolo[1,2-a]indole is sourced from PubChem (CID 70911908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).