1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2,3-dihydroindole

C31H25N — CID 118670953

IUPAC1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2,3-dihydroindole
SMILESCC1(C)c2cc(N3CCc4ccccc43)ccc2-c2c1ccc1c2ccc2ccccc21
InChIInChI=1S/C31H25N/c1-31(2)27-16-15-24-23-9-5-3-7-20(23)11-13-25(24)30(27)26-14-12-22(19-28(26)31)32-18-17-21-8-4-6-10-29(21)32/h3-16,19H,17-18H2,1-2H3
InChIKeyRBMCFDDJDWPMLE-UHFFFAOYSA-N
MW411.55 g/mol
LogP7.99
Rot. Bonds1

About 1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2,3-dihydroindole

1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2,3-dihydroindole (PubChem CID 118670953) has the molecular formula C31H25N and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2,3-dihydroindole
PubChem CID118670953
Molecular FormulaC31H25N
Molecular Weight411.55 g/mol
Exact Mass411.20
IUPAC Name1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2,3-dihydroindole
SMILESCC1(C)c2cc(N3CCc4ccccc43)ccc2-c2c1ccc1c2ccc2ccccc21
InChIInChI=1S/C31H25N/c1-31(2)27-16-15-24-23-9-5-3-7-20(23)11-13-25(24)30(27)26-14-12-22(19-28(26)31)32-18-17-21-8-4-6-10-29(21)32/h3-16,19H,17-18H2,1-2H3
InChIKeyRBMCFDDJDWPMLE-UHFFFAOYSA-N
XLogP7.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2,3-dihydroindole 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

1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline
CID 118671687
1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-3,4-dihydro-2H-quinoline-6-carbonitrile
CID 118671922
1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2-(trifluoromethyl)-2,3-dihydroindole
CID 118671690
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
CID 59220942
7,7-dimethylbenzo[g]fluoren-9-amine
CID 90277897
1-[7-[(E)-2-[12-(3,4-dihydro-2H-quinolin-1-yl)chrysen-6-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-3,4-dihydro-2H-quinoline
CID 89071639
5,5,19,19-tetramethylnonacyclo[18.16.0.02,18.04,16.06,15.09,14.023,36.024,33.025,30]hexatriaconta-1(20),2(18),3,6(15),7,9,11,13,16,21,23(36),24(33),25,27,29,31,34-heptadecaene
CID 58261583
1-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-3,4-dihydro-2H-quinoline
CID 59195882
10'-(2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one
CID 169207723
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-2-yl-10-phenanthren-9-ylanthracen-2-yl]-3,4-dihydro-2H-quinoline
CID 59220542
9-(9,10-dinaphthalen-2-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene
CID 58323017
10-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-7-isocyano-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine
CID 140819967

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2,3-dihydroindole?
The IUPAC name of 1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2,3-dihydroindole (CID 118670953) is 1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2,3-dihydroindole.
What is the SMILES notation for 1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2,3-dihydroindole?
The canonical SMILES for 1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2,3-dihydroindole is CC1(C)c2cc(N3CCc4ccccc43)ccc2-c2c1ccc1c2ccc2ccccc21.
What is the InChIKey of 1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2,3-dihydroindole?
The InChIKey is RBMCFDDJDWPMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N/c1-31(2)27-16-15-24-23-9-5-3-7-20(23)11-13-25(24)30(27)26-14-12-22(19-28(26)31)32-18-17-21-8-4-6-10-29(21)32/h3-16,19H,17-18H2,1-2H3.
What are the key properties of 1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2,3-dihydroindole?
1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2,3-dihydroindole has a molecular weight of 411.55 g/mol, XLogP of 7.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2,3-dihydroindole is sourced from PubChem (CID 118670953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).