9,9-dimethyl-10-phenanthren-3-ylacridine

C29H23N — CID 155173536

IUPAC9,9-dimethyl-10-phenanthren-3-ylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3ccc4ccccc4c3c2)c2ccccc21
InChIInChI=1S/C29H23N/c1-29(2)25-11-5-7-13-27(25)30(28-14-8-6-12-26(28)29)22-18-17-21-16-15-20-9-3-4-10-23(20)24(21)19-22/h3-19H,1-2H3
InChIKeyCOGYHPOQZVDGIQ-UHFFFAOYSA-N
MW385.51 g/mol
LogP8.10
Rot. Bonds1

About 9,9-dimethyl-10-phenanthren-3-ylacridine

9,9-dimethyl-10-phenanthren-3-ylacridine (PubChem CID 155173536) has the molecular formula C29H23N and a molecular weight of 385.51 g/mol. Its IUPAC name is 9,9-dimethyl-10-phenanthren-3-ylacridine.

Molecular Properties

Compound Name9,9-dimethyl-10-phenanthren-3-ylacridine
PubChem CID155173536
Molecular FormulaC29H23N
Molecular Weight385.51 g/mol
Exact Mass385.18
IUPAC Name9,9-dimethyl-10-phenanthren-3-ylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3ccc4ccccc4c3c2)c2ccccc21
InChIInChI=1S/C29H23N/c1-29(2)25-11-5-7-13-27(25)30(28-14-8-6-12-26(28)29)22-18-17-21-16-15-20-9-3-4-10-23(20)24(21)19-22/h3-19H,1-2H3
InChIKeyCOGYHPOQZVDGIQ-UHFFFAOYSA-N
XLogP8.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-[6-(9,9-dimethylacridin-10-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-9,9-dimethylacridine
CID 59219732
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
10,10-dimethyl-9H-anthracene;9,9-dimethyl-10-naphthalen-2-ylacridine
CID 164974789
10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,9-dimethylacridine
CID 59219699
1,4-bis[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenazine
CID 140917933
9,9-dimethyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)acridine
CID 118472936
10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine
CID 59399619
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-2-yl-10-perylen-3-ylanthracen-2-yl]-9,9-dimethylacridine
CID 59220754
9,9-dimethyl-10-(6-methyl-3-pyridinyl)acridine
CID 118881708
10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-dimethylacridine
CID 140928502
3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771897

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-phenanthren-3-ylacridine?
The IUPAC name of 9,9-dimethyl-10-phenanthren-3-ylacridine (CID 155173536) is 9,9-dimethyl-10-phenanthren-3-ylacridine.
What is the SMILES notation for 9,9-dimethyl-10-phenanthren-3-ylacridine?
The canonical SMILES for 9,9-dimethyl-10-phenanthren-3-ylacridine is CC1(C)c2ccccc2N(c2ccc3ccc4ccccc4c3c2)c2ccccc21.
What is the InChIKey of 9,9-dimethyl-10-phenanthren-3-ylacridine?
The InChIKey is COGYHPOQZVDGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N/c1-29(2)25-11-5-7-13-27(25)30(28-14-8-6-12-26(28)29)22-18-17-21-16-15-20-9-3-4-10-23(20)24(21)19-22/h3-19H,1-2H3.
What are the key properties of 9,9-dimethyl-10-phenanthren-3-ylacridine?
9,9-dimethyl-10-phenanthren-3-ylacridine has a molecular weight of 385.51 g/mol, XLogP of 8.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-phenanthren-3-ylacridine is sourced from PubChem (CID 155173536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).