8,8,13,13-tetramethyl-5-phenyl-3-(3-pyridin-2-ylphenyl)indeno[1,2-a]acridine

C41H34N2 — CID 118668352

IUPAC8,8,13,13-tetramethyl-5-phenyl-3-(3-pyridin-2-ylphenyl)indeno[1,2-a]acridine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2C(C)(C)c2ccc(-c3cccc(-c4ccccn4)c3)cc2N1c1ccccc1
InChIInChI=1S/C41H34N2/c1-40(2)32-18-9-8-17-31(32)38-34(40)22-23-36-39(38)41(3,4)33-21-20-28(26-37(33)43(36)30-15-6-5-7-16-30)27-13-12-14-29(25-27)35-19-10-11-24-42-35/h5-26H,1-4H3
InChIKeyLKZGJXDPZGRGKF-UHFFFAOYSA-N
MW554.74 g/mol
LogP10.83
Rot. Bonds3

About 8,8,13,13-tetramethyl-5-phenyl-3-(3-pyridin-2-ylphenyl)indeno[1,2-a]acridine

8,8,13,13-tetramethyl-5-phenyl-3-(3-pyridin-2-ylphenyl)indeno[1,2-a]acridine (PubChem CID 118668352) has the molecular formula C41H34N2 and a molecular weight of 554.74 g/mol. Its IUPAC name is 8,8,13,13-tetramethyl-5-phenyl-3-(3-pyridin-2-ylphenyl)indeno[1,2-a]acridine.

Molecular Properties

Compound Name8,8,13,13-tetramethyl-5-phenyl-3-(3-pyridin-2-ylphenyl)indeno[1,2-a]acridine
PubChem CID118668352
Molecular FormulaC41H34N2
Molecular Weight554.74 g/mol
Exact Mass554.27
IUPAC Name8,8,13,13-tetramethyl-5-phenyl-3-(3-pyridin-2-ylphenyl)indeno[1,2-a]acridine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2C(C)(C)c2ccc(-c3cccc(-c4ccccn4)c3)cc2N1c1ccccc1
InChIInChI=1S/C41H34N2/c1-40(2)32-18-9-8-17-31(32)38-34(40)22-23-36-39(38)41(3,4)33-21-20-28(26-37(33)43(36)30-15-6-5-7-16-30)27-13-12-14-29(25-27)35-19-10-11-24-42-35/h5-26H,1-4H3
InChIKeyLKZGJXDPZGRGKF-UHFFFAOYSA-N
XLogP10.83
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.74
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8,8-dimethyl-13-phenyl-2-pyridin-2-ylindeno[1,2-a]phenothiazine
CID 118668369
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine
CID 153423472
3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline
CID 121259013
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine
CID 153423317
2-carbazol-9-yl-8,8-dimethyl-13-phenylindeno[1,2-a]phenothiazine;8,8-dimethyl-2,13-diphenylindeno[1,2-a]phenothiazine;8,8-dimethyl-13-phenylindeno[1,2-a]phenothiazine;8,8-dimethyl-13-phenyl-2-pyridin-2-ylindeno[1,2-a]phenothiazine
CID 158129535
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
[3-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]phenyl]-tetraphenylen-2-ylmethanone
CID 130181416
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
18-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 118227857
10-phenyl-4'-[4-phenyl-3-[4-phenyl-6-[4-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]-3-[4-[6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 167177913
22-(2,4-dipyridin-2-ylphenyl)-8,8-dimethyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 129254777
2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-pyridin-2-ylphenyl]pyridine
CID 58881166

Frequently Asked Questions

What is the IUPAC name of 8,8,13,13-tetramethyl-5-phenyl-3-(3-pyridin-2-ylphenyl)indeno[1,2-a]acridine?
The IUPAC name of 8,8,13,13-tetramethyl-5-phenyl-3-(3-pyridin-2-ylphenyl)indeno[1,2-a]acridine (CID 118668352) is 8,8,13,13-tetramethyl-5-phenyl-3-(3-pyridin-2-ylphenyl)indeno[1,2-a]acridine.
What is the SMILES notation for 8,8,13,13-tetramethyl-5-phenyl-3-(3-pyridin-2-ylphenyl)indeno[1,2-a]acridine?
The canonical SMILES for 8,8,13,13-tetramethyl-5-phenyl-3-(3-pyridin-2-ylphenyl)indeno[1,2-a]acridine is CC1(C)c2ccccc2-c2c1ccc1c2C(C)(C)c2ccc(-c3cccc(-c4ccccn4)c3)cc2N1c1ccccc1.
What is the InChIKey of 8,8,13,13-tetramethyl-5-phenyl-3-(3-pyridin-2-ylphenyl)indeno[1,2-a]acridine?
The InChIKey is LKZGJXDPZGRGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34N2/c1-40(2)32-18-9-8-17-31(32)38-34(40)22-23-36-39(38)41(3,4)33-21-20-28(26-37(33)43(36)30-15-6-5-7-16-30)27-13-12-14-29(25-27)35-19-10-11-24-42-35/h5-26H,1-4H3.
What are the key properties of 8,8,13,13-tetramethyl-5-phenyl-3-(3-pyridin-2-ylphenyl)indeno[1,2-a]acridine?
8,8,13,13-tetramethyl-5-phenyl-3-(3-pyridin-2-ylphenyl)indeno[1,2-a]acridine has a molecular weight of 554.74 g/mol, XLogP of 10.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,13,13-tetramethyl-5-phenyl-3-(3-pyridin-2-ylphenyl)indeno[1,2-a]acridine is sourced from PubChem (CID 118668352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).