8,8,14-trimethyl-14-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene

C29H25N — CID 12555375

IUPAC8,8,14-trimethyl-14-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
SMILESCC1(C)c2ccccc2N2c3ccccc3C(C)(c3ccccc3)c3cccc1c32
InChIInChI=1S/C29H25N/c1-28(2)21-14-7-9-18-25(21)30-26-19-10-8-15-22(26)29(3,20-12-5-4-6-13-20)24-17-11-16-23(28)27(24)30/h4-19H,1-3H3
InChIKeyHYVXVDUNZUPFEJ-UHFFFAOYSA-N
MW387.53 g/mol
LogP7.46
Rot. Bonds1

About 8,8,14-trimethyl-14-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene

8,8,14-trimethyl-14-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene (PubChem CID 12555375) has the molecular formula C29H25N and a molecular weight of 387.53 g/mol. Its IUPAC name is 8,8,14-trimethyl-14-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene.

Molecular Properties

Compound Name8,8,14-trimethyl-14-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
PubChem CID12555375
Molecular FormulaC29H25N
Molecular Weight387.53 g/mol
Exact Mass387.20
IUPAC Name8,8,14-trimethyl-14-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
SMILESCC1(C)c2ccccc2N2c3ccccc3C(C)(c3ccccc3)c3cccc1c32
InChIInChI=1S/C29H25N/c1-28(2)21-14-7-9-18-25(21)30-26-19-10-8-15-22(26)29(3,20-12-5-4-6-13-20)24-17-11-16-23(28)27(24)30/h4-19H,1-3H3
InChIKeyHYVXVDUNZUPFEJ-UHFFFAOYSA-N
XLogP7.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8,8,14-trimethyl-14-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-methyl-9,10-diphenylacridine
CID 140899029
14,14-dimethyl-8-phenyl-1,8-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 118443210
10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine
CID 59399619
8,8,14,14-tetramethyl-11-[4-[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]phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 90330276
2-(9,9-dimethylacridin-10-yl)benzene-1,3-dicarbonitrile
CID 145009819
10-[5-(9,9-dimethylacridin-10-yl)thiophen-2-yl]-9,9-dimethylacridine
CID 59399701
8-(4-bromophenyl)-14,14-dimethyl-1,8-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 141487982
10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]-9,9-dimethylacridine
CID 135130813
8,8,14,14-tetramethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
CID 70892954
8,8,14,14,22,22-hexamethyl-5-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 70885935
22-methyl-8,14,22-triphenyl-8,14-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 163623437
8,8,14,14-tetramethyl-5-(2-naphthalen-1-ylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 70892961

Frequently Asked Questions

What is the IUPAC name of 8,8,14-trimethyl-14-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The IUPAC name of 8,8,14-trimethyl-14-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene (CID 12555375) is 8,8,14-trimethyl-14-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene.
What is the SMILES notation for 8,8,14-trimethyl-14-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The canonical SMILES for 8,8,14-trimethyl-14-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene is CC1(C)c2ccccc2N2c3ccccc3C(C)(c3ccccc3)c3cccc1c32.
What is the InChIKey of 8,8,14-trimethyl-14-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The InChIKey is HYVXVDUNZUPFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N/c1-28(2)21-14-7-9-18-25(21)30-26-19-10-8-15-22(26)29(3,20-12-5-4-6-13-20)24-17-11-16-23(28)27(24)30/h4-19H,1-3H3.
What are the key properties of 8,8,14-trimethyl-14-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?
8,8,14-trimethyl-14-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene has a molecular weight of 387.53 g/mol, XLogP of 7.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,14-trimethyl-14-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene is sourced from PubChem (CID 12555375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).