5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-20-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine

C73H60N2O2 — CID 118633662

IUPAC5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-20-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2cccc4c2c-3c(-c2ccccc2)c2ccc(N(c3ccc(C(C)(C)C)cc3)c3cccc5c3oc3ccccc35)cc24)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C73H60N2O2/c1-71(2,3)46-31-35-48(36-32-46)74(62-27-17-24-56-52-21-12-14-29-64(52)76-69(56)62)50-39-41-55-59(43-50)54-23-16-26-60-67(54)68(66(55)45-19-10-9-11-20-45)58-42-40-51(44-61(58)73(60,7)8)75(49-37-33-47(34-38-49)72(4,5)6)63-28-18-25-57-53-22-13-15-30-65(53)77-70(57)63/h9-44H,1-8H3
InChIKeyZVFFMPSECGVVHW-UHFFFAOYSA-N
MW997.29 g/mol
LogP21.30
Rot. Bonds7

About 5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-20-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine

5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-20-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine (PubChem CID 118633662) has the molecular formula C73H60N2O2 and a molecular weight of 997.29 g/mol. Its IUPAC name is 5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-20-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine.

Molecular Properties

Compound Name5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-20-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
PubChem CID118633662
Molecular FormulaC73H60N2O2
Molecular Weight997.29 g/mol
Exact Mass996.47
IUPAC Name5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-20-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2cccc4c2c-3c(-c2ccccc2)c2ccc(N(c3ccc(C(C)(C)C)cc3)c3cccc5c3oc3ccccc35)cc24)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C73H60N2O2/c1-71(2,3)46-31-35-48(36-32-46)74(62-27-17-24-56-52-21-12-14-29-64(52)76-69(56)62)50-39-41-55-59(43-50)54-23-16-26-60-67(54)68(66(55)45-19-10-9-11-20-45)58-42-40-51(44-61(58)73(60,7)8)75(49-37-33-47(34-38-49)72(4,5)6)63-28-18-25-57-53-22-13-15-30-65(53)77-70(57)63/h9-44H,1-8H3
InChIKeyZVFFMPSECGVVHW-UHFFFAOYSA-N
XLogP21.30
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.29
LogP ≤ 521.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-20-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine 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

N-[4-[16-(N-dibenzofuran-4-ylanilino)-8,8-dimethyl-20-phenyl-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 118633745
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine
CID 89254675
5-N,16-N-di(dibenzofuran-2-yl)-8,8-dimethyl-5-N,16-N,20-triphenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633670
5-N-dibenzofuran-4-yl-8,8,20-trimethyl-5-N,16-N,16-N-triphenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633640
16-N-dibenzofuran-4-yl-8,8-dimethyl-5-N-(4-methylphenyl)-5-N,20-diphenyl-16-N-(4-propan-2-ylsulfanylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118639413
5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633429
5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N-phenyl-16-N-(2-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633607
N-[9,9-dimethyl-5-(2-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 138724001
N-phenyl-N-[4-[8,8,20-trimethyl-16-(N-phenylanilino)-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]dibenzofuran-4-amine
CID 118633637
5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 158401253
6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine
CID 166033534
16-N-dibenzofuran-4-yl-5-N-(3,5-diphenylphenyl)-8,8,20-trimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633625

Frequently Asked Questions

What is the IUPAC name of 5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-20-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?
The IUPAC name of 5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-20-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine (CID 118633662) is 5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-20-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine.
What is the SMILES notation for 5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-20-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?
The canonical SMILES for 5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-20-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine is CC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2cccc4c2c-3c(-c2ccccc2)c2ccc(N(c3ccc(C(C)(C)C)cc3)c3cccc5c3oc3ccccc35)cc24)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-20-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?
The InChIKey is ZVFFMPSECGVVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H60N2O2/c1-71(2,3)46-31-35-48(36-32-46)74(62-27-17-24-56-52-21-12-14-29-64(52)76-69(56)62)50-39-41-55-59(43-50)54-23-16-26-60-67(54)68(66(55)45-19-10-9-11-20-45)58-42-40-51(44-61(58)73(60,7)8)75(49-37-33-47(34-38-49)72(4,5)6)63-28-18-25-57-53-22-13-15-30-65(53)77-70(57)63/h9-44H,1-8H3.
What are the key properties of 5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-20-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?
5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-20-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine has a molecular weight of 997.29 g/mol, XLogP of 21.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-20-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine is sourced from PubChem (CID 118633662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).