7-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-9,9-dimethyl-3,10-dihydro-2H-acridine

C40H35N3 — CID 156533533

IUPAC7-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-9,9-dimethyl-3,10-dihydro-2H-acridine
SMILESCC1(C)C2=CC(n3c4ccccc4c4ccccc43)CC=C2Nc2ccc(N3c4ccccc4C4C=CC=CC43C)cc21
InChIInChI=1S/C40H35N3/c1-39(2)32-24-26(42-36-16-7-4-12-28(36)29-13-5-8-17-37(29)42)19-21-34(32)41-35-22-20-27(25-33(35)39)43-38-18-9-6-14-30(38)31-15-10-11-23-40(31,43)3/h4-18,20-26,31,41H,19H2,1-3H3
InChIKeyZPTSPGOTSLYETD-UHFFFAOYSA-N
MW557.74 g/mol
LogP10.07
Rot. Bonds2

About 7-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-9,9-dimethyl-3,10-dihydro-2H-acridine

7-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-9,9-dimethyl-3,10-dihydro-2H-acridine (PubChem CID 156533533) has the molecular formula C40H35N3 and a molecular weight of 557.74 g/mol. Its IUPAC name is 7-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-9,9-dimethyl-3,10-dihydro-2H-acridine.

Molecular Properties

Compound Name7-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-9,9-dimethyl-3,10-dihydro-2H-acridine
PubChem CID156533533
Molecular FormulaC40H35N3
Molecular Weight557.74 g/mol
Exact Mass557.28
IUPAC Name7-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-9,9-dimethyl-3,10-dihydro-2H-acridine
SMILESCC1(C)C2=CC(n3c4ccccc4c4ccccc43)CC=C2Nc2ccc(N3c4ccccc4C4C=CC=CC43C)cc21
InChIInChI=1S/C40H35N3/c1-39(2)32-24-26(42-36-16-7-4-12-28(36)29-13-5-8-17-37(29)42)19-21-34(32)41-35-22-20-27(25-33(35)39)43-38-18-9-6-14-30(38)31-15-10-11-23-40(31,43)3/h4-18,20-26,31,41H,19H2,1-3H3
InChIKeyZPTSPGOTSLYETD-UHFFFAOYSA-N
XLogP10.07
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.74
LogP ≤ 510.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-9,9-dimethyl-3,10-dihydro-2H-acridine?
The IUPAC name of 7-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-9,9-dimethyl-3,10-dihydro-2H-acridine (CID 156533533) is 7-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-9,9-dimethyl-3,10-dihydro-2H-acridine.
What is the SMILES notation for 7-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-9,9-dimethyl-3,10-dihydro-2H-acridine?
The canonical SMILES for 7-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-9,9-dimethyl-3,10-dihydro-2H-acridine is CC1(C)C2=CC(n3c4ccccc4c4ccccc43)CC=C2Nc2ccc(N3c4ccccc4C4C=CC=CC43C)cc21.
What is the InChIKey of 7-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-9,9-dimethyl-3,10-dihydro-2H-acridine?
The InChIKey is ZPTSPGOTSLYETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35N3/c1-39(2)32-24-26(42-36-16-7-4-12-28(36)29-13-5-8-17-37(29)42)19-21-34(32)41-35-22-20-27(25-33(35)39)43-38-18-9-6-14-30(38)31-15-10-11-23-40(31,43)3/h4-18,20-26,31,41H,19H2,1-3H3.
What are the key properties of 7-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-9,9-dimethyl-3,10-dihydro-2H-acridine?
7-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-9,9-dimethyl-3,10-dihydro-2H-acridine has a molecular weight of 557.74 g/mol, XLogP of 10.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-9,9-dimethyl-3,10-dihydro-2H-acridine is sourced from PubChem (CID 156533533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).