2-(7,21-dimethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-5,5-dimethylindeno[1,2-b]pyridine

C40H29N — CID 59330469

IUPAC2-(7,21-dimethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-5,5-dimethylindeno[1,2-b]pyridine
SMILESCc1ccc2c(c1)c(-c1ccc3c(n1)-c1ccccc1C3(C)C)cc1c3ccc(C)c4c3c(cc21)-c1ccccc1-4
InChIInChI=1S/C40H29N/c1-22-13-15-25-29(19-22)32(36-18-17-35-39(41-36)28-11-7-8-12-34(28)40(35,3)4)20-31-27-16-14-23(2)37-26-10-6-5-9-24(26)33(38(27)37)21-30(25)31/h5-21H,1-4H3
InChIKeyRDQUPHPMIDQMRC-UHFFFAOYSA-N
MW523.68 g/mol
LogP10.78
Rot. Bonds1

About 2-(7,21-dimethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-5,5-dimethylindeno[1,2-b]pyridine

2-(7,21-dimethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-5,5-dimethylindeno[1,2-b]pyridine (PubChem CID 59330469) has the molecular formula C40H29N and a molecular weight of 523.68 g/mol. Its IUPAC name is 2-(7,21-dimethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-5,5-dimethylindeno[1,2-b]pyridine.

Molecular Properties

Compound Name2-(7,21-dimethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-5,5-dimethylindeno[1,2-b]pyridine
PubChem CID59330469
Molecular FormulaC40H29N
Molecular Weight523.68 g/mol
Exact Mass523.23
IUPAC Name2-(7,21-dimethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-5,5-dimethylindeno[1,2-b]pyridine
SMILESCc1ccc2c(c1)c(-c1ccc3c(n1)-c1ccccc1C3(C)C)cc1c3ccc(C)c4c3c(cc21)-c1ccccc1-4
InChIInChI=1S/C40H29N/c1-22-13-15-25-29(19-22)32(36-18-17-35-39(41-36)28-11-7-8-12-34(28)40(35,3)4)20-31-27-16-14-23(2)37-26-10-6-5-9-24(26)33(38(27)37)21-30(25)31/h5-21H,1-4H3
InChIKeyRDQUPHPMIDQMRC-UHFFFAOYSA-N
XLogP10.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(7,21-dimethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-5,5-dimethylindeno[1,2-b]pyridine with MolForge

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Related Compounds

4-(9,9-dimethylfluoren-2-yl)-7,21-dimethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene
CID 59330336
4-(7,21-dimethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene
CID 59319131
5,5-dimethyl-2-[2,4,5-tris(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenyl]indeno[1,2-b]pyridine
CID 59747186
4-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
CID 59319046
4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene
CID 159287669
2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenanthren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine
CID 59747213
5,5-dimethyl-2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)indeno[1,2-b]pyridine
CID 59845146
20,20-dimethylhexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14,16,18,21,23-dodecaene
CID 123610165
2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5,5-dimethylindeno[1,2-b]pyridine
CID 167269648
4-[4-(7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaen-4-yl)phenyl]-7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene
CID 59319132
9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene
CID 59195744
6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]chrysene
CID 59194713

Frequently Asked Questions

What is the IUPAC name of 2-(7,21-dimethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-5,5-dimethylindeno[1,2-b]pyridine?
The IUPAC name of 2-(7,21-dimethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-5,5-dimethylindeno[1,2-b]pyridine (CID 59330469) is 2-(7,21-dimethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-5,5-dimethylindeno[1,2-b]pyridine.
What is the SMILES notation for 2-(7,21-dimethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-5,5-dimethylindeno[1,2-b]pyridine?
The canonical SMILES for 2-(7,21-dimethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-5,5-dimethylindeno[1,2-b]pyridine is Cc1ccc2c(c1)c(-c1ccc3c(n1)-c1ccccc1C3(C)C)cc1c3ccc(C)c4c3c(cc21)-c1ccccc1-4.
What is the InChIKey of 2-(7,21-dimethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-5,5-dimethylindeno[1,2-b]pyridine?
The InChIKey is RDQUPHPMIDQMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N/c1-22-13-15-25-29(19-22)32(36-18-17-35-39(41-36)28-11-7-8-12-34(28)40(35,3)4)20-31-27-16-14-23(2)37-26-10-6-5-9-24(26)33(38(27)37)21-30(25)31/h5-21H,1-4H3.
What are the key properties of 2-(7,21-dimethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-5,5-dimethylindeno[1,2-b]pyridine?
2-(7,21-dimethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-5,5-dimethylindeno[1,2-b]pyridine has a molecular weight of 523.68 g/mol, XLogP of 10.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,21-dimethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-5,5-dimethylindeno[1,2-b]pyridine is sourced from PubChem (CID 59330469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).