4-[7-(7,21-diphenyl-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)-9,9-dimethylfluoren-2-yl]-7,21-diphenyl-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

C85H52N2 — CID 59319051

IUPAC4-[7-(7,21-diphenyl-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)-9,9-dimethylfluoren-2-yl]-7,21-diphenyl-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
SMILESCC1(C)c2cc(-c3cc4c5ccc(-c6ccccc6)c6c5c(cc4c4ccc(-c5ccccc5)cc34)-c3ncccc3-6)ccc2-c2ccc(-c3cc4c5ccc(-c6ccccc6)c6c5c(cc4c4ccc(-c5ccccc5)cc34)-c3ncccc3-6)cc21
InChIInChI=1S/C85H52N2/c1-85(2)77-43-55(67-45-73-63-37-35-57(51-21-11-5-12-22-51)79-65-25-15-39-86-83(65)75(81(63)79)47-71(73)59-31-27-53(41-69(59)67)49-17-7-3-8-18-49)29-33-61(77)62-34-30-56(44-78(62)85)68-46-74-64-38-36-58(52-23-13-6-14-24-52)80-66-26-16-40-87-84(66)76(82(64)80)48-72(74)60-32-28-54(42-70(60)68)50-19-9-4-10-20-50/h3-48H,1-2H3
InChIKeyGXRUFGJEZPYGOI-UHFFFAOYSA-N
MW1101.37 g/mol
LogP23.00
Rot. Bonds6

About 4-[7-(7,21-diphenyl-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)-9,9-dimethylfluoren-2-yl]-7,21-diphenyl-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

4-[7-(7,21-diphenyl-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)-9,9-dimethylfluoren-2-yl]-7,21-diphenyl-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 (PubChem CID 59319051) has the molecular formula C85H52N2 and a molecular weight of 1101.37 g/mol. Its IUPAC name is 4-[7-(7,21-diphenyl-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)-9,9-dimethylfluoren-2-yl]-7,21-diphenyl-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.

Molecular Properties

Compound Name4-[7-(7,21-diphenyl-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)-9,9-dimethylfluoren-2-yl]-7,21-diphenyl-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
PubChem CID59319051
Molecular FormulaC85H52N2
Molecular Weight1101.37 g/mol
Exact Mass1100.41
IUPAC Name4-[7-(7,21-diphenyl-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)-9,9-dimethylfluoren-2-yl]-7,21-diphenyl-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
SMILESCC1(C)c2cc(-c3cc4c5ccc(-c6ccccc6)c6c5c(cc4c4ccc(-c5ccccc5)cc34)-c3ncccc3-6)ccc2-c2ccc(-c3cc4c5ccc(-c6ccccc6)c6c5c(cc4c4ccc(-c5ccccc5)cc34)-c3ncccc3-6)cc21
InChIInChI=1S/C85H52N2/c1-85(2)77-43-55(67-45-73-63-37-35-57(51-21-11-5-12-22-51)79-65-25-15-39-86-83(65)75(81(63)79)47-71(73)59-31-27-53(41-69(59)67)49-17-7-3-8-18-49)29-33-61(77)62-34-30-56(44-78(62)85)68-46-74-64-38-36-58(52-23-13-6-14-24-52)80-66-26-16-40-87-84(66)76(82(64)80)48-72(74)60-32-28-54(42-70(60)68)50-19-9-4-10-20-50/h3-48H,1-2H3
InChIKeyGXRUFGJEZPYGOI-UHFFFAOYSA-N
XLogP23.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001101.37
LogP ≤ 523.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[7-(7,21-diphenyl-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)-9,9-dimethylfluoren-2-yl]-7,21-diphenyl-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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[7-(7,21-diphenyl-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)-9,9-dimethylfluoren-2-yl]-7,21-diphenyl-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?
The IUPAC name of 4-[7-(7,21-diphenyl-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)-9,9-dimethylfluoren-2-yl]-7,21-diphenyl-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 59319051) is 4-[7-(7,21-diphenyl-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)-9,9-dimethylfluoren-2-yl]-7,21-diphenyl-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.
What is the SMILES notation for 4-[7-(7,21-diphenyl-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)-9,9-dimethylfluoren-2-yl]-7,21-diphenyl-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?
The canonical SMILES for 4-[7-(7,21-diphenyl-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)-9,9-dimethylfluoren-2-yl]-7,21-diphenyl-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 is CC1(C)c2cc(-c3cc4c5ccc(-c6ccccc6)c6c5c(cc4c4ccc(-c5ccccc5)cc34)-c3ncccc3-6)ccc2-c2ccc(-c3cc4c5ccc(-c6ccccc6)c6c5c(cc4c4ccc(-c5ccccc5)cc34)-c3ncccc3-6)cc21.
What is the InChIKey of 4-[7-(7,21-diphenyl-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)-9,9-dimethylfluoren-2-yl]-7,21-diphenyl-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?
The InChIKey is GXRUFGJEZPYGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H52N2/c1-85(2)77-43-55(67-45-73-63-37-35-57(51-21-11-5-12-22-51)79-65-25-15-39-86-83(65)75(81(63)79)47-71(73)59-31-27-53(41-69(59)67)49-17-7-3-8-18-49)29-33-61(77)62-34-30-56(44-78(62)85)68-46-74-64-38-36-58(52-23-13-6-14-24-52)80-66-26-16-40-87-84(66)76(82(64)80)48-72(74)60-32-28-54(42-70(60)68)50-19-9-4-10-20-50/h3-48H,1-2H3.
What are the key properties of 4-[7-(7,21-diphenyl-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)-9,9-dimethylfluoren-2-yl]-7,21-diphenyl-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?
4-[7-(7,21-diphenyl-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)-9,9-dimethylfluoren-2-yl]-7,21-diphenyl-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 has a molecular weight of 1101.37 g/mol, XLogP of 23.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(7,21-diphenyl-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)-9,9-dimethylfluoren-2-yl]-7,21-diphenyl-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 is sourced from PubChem (CID 59319051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).