N-[4-[4-[2,2-bis(4-tert-butylphenyl)ethyl]phenyl]phenyl]-N-(4-tert-butylphenyl)-6,6,9,18,18-pentamethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaen-3-amine

C67H71N — CID 143982085

IUPACN-[4-[4-[2,2-bis(4-tert-butylphenyl)ethyl]phenyl]phenyl]-N-(4-tert-butylphenyl)-6,6,9,18,18-pentamethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaen-3-amine
SMILESCc1cc2c3c4c(cccc14)C(C)(C)c1cc(N(c4ccc(-c5ccc(CC(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cc5)cc4)c4ccc(C(C)(C)C)cc4)cc(c1-3)C2(C)C
InChIInChI=1S/C67H71N/c1-42-38-57-62-60-54(42)16-15-17-56(60)66(11,12)58-40-53(41-59(61(58)62)67(57,13)14)68(52-36-32-50(33-37-52)65(8,9)10)51-34-26-45(27-35-51)44-20-18-43(19-21-44)39-55(46-22-28-48(29-23-46)63(2,3)4)47-24-30-49(31-25-47)64(5,6)7/h15-38,40-41,55H,39H2,1-14H3
InChIKeySFHZTKNWQXKJSH-UHFFFAOYSA-N
MW890.31 g/mol
LogP18.50
Rot. Bonds8

About N-[4-[4-[2,2-bis(4-tert-butylphenyl)ethyl]phenyl]phenyl]-N-(4-tert-butylphenyl)-6,6,9,18,18-pentamethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaen-3-amine

N-[4-[4-[2,2-bis(4-tert-butylphenyl)ethyl]phenyl]phenyl]-N-(4-tert-butylphenyl)-6,6,9,18,18-pentamethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaen-3-amine (PubChem CID 143982085) has the molecular formula C67H71N and a molecular weight of 890.31 g/mol. Its IUPAC name is N-[4-[4-[2,2-bis(4-tert-butylphenyl)ethyl]phenyl]phenyl]-N-(4-tert-butylphenyl)-6,6,9,18,18-pentamethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaen-3-amine.

Molecular Properties

Compound NameN-[4-[4-[2,2-bis(4-tert-butylphenyl)ethyl]phenyl]phenyl]-N-(4-tert-butylphenyl)-6,6,9,18,18-pentamethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaen-3-amine
PubChem CID143982085
Molecular FormulaC67H71N
Molecular Weight890.31 g/mol
Exact Mass889.56
IUPAC NameN-[4-[4-[2,2-bis(4-tert-butylphenyl)ethyl]phenyl]phenyl]-N-(4-tert-butylphenyl)-6,6,9,18,18-pentamethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaen-3-amine
SMILESCc1cc2c3c4c(cccc14)C(C)(C)c1cc(N(c4ccc(-c5ccc(CC(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cc5)cc4)c4ccc(C(C)(C)C)cc4)cc(c1-3)C2(C)C
InChIInChI=1S/C67H71N/c1-42-38-57-62-60-54(42)16-15-17-56(60)66(11,12)58-40-53(41-59(61(58)62)67(57,13)14)68(52-36-32-50(33-37-52)65(8,9)10)51-34-26-45(27-35-51)44-20-18-43(19-21-44)39-55(46-22-28-48(29-23-46)63(2,3)4)47-24-30-49(31-25-47)64(5,6)7/h15-38,40-41,55H,39H2,1-14H3
InChIKeySFHZTKNWQXKJSH-UHFFFAOYSA-N
XLogP18.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.31
LogP ≤ 518.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-[4-[2,2-bis(4-tert-butylphenyl)ethyl]phenyl]phenyl]-N-(4-tert-butylphenyl)-6,6,9,18,18-pentamethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaen-3-amine 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-N,1-N,4-N-triphenyl-4-N-[4-[4-[2-phenyl-2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]phenyl]benzene-1,4-diamine
CID 123954452
4-[4-[2-[4-[4-(N-[4-[4-(1,2-diphenylethyl)phenyl]phenyl]anilino)phenyl]phenyl]-2-phenylethyl]phenyl]-N,N-diphenylaniline
CID 143893805
N,N-bis(4-tert-butylphenyl)-4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)aniline
CID 156556107
1-methyl-2,5-bis(6,6,9,18,18-pentamethyl-3-pentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaenyl)pyrrole
CID 134271462
N-(4-tert-butylphenyl)-9,9,10,10-tetramethyl-N-phenylanthracen-2-amine
CID 167340397
4,6,6,10,12,12-hexamethyl-2-N,8-N-diphenyl-8-N-(4-phenylphenyl)-2-N-[4-(3-phenylphenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 90260304
13,34-bis(4-tert-butylphenyl)-7,7,10,10,28,28,31,31,43,43,44,44-dodecamethyltridecacyclo[37.3.1.118,22.03,29.04,27.06,25.08,24.09,21.011,20.014,19.030,42.032,41.035,40]tetratetraconta-1(42),2,4,6(25),8,11(20),12,14(19),15,17,21,23,26,29,32(41),33,35(40),36,38-nonadecaene
CID 58260556
N-[4-[4-[4-[N-(4-tert-butylphenyl)-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[4-[N-naphthalen-1-yl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 159251897
3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 58389701
N-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenylaniline
CID 176836108
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384797
N,N-bis[4-(4-tert-butylphenyl)phenyl]-4-(4-ethylphenyl)aniline
CID 59863422

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2,2-bis(4-tert-butylphenyl)ethyl]phenyl]phenyl]-N-(4-tert-butylphenyl)-6,6,9,18,18-pentamethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaen-3-amine?
The IUPAC name of N-[4-[4-[2,2-bis(4-tert-butylphenyl)ethyl]phenyl]phenyl]-N-(4-tert-butylphenyl)-6,6,9,18,18-pentamethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaen-3-amine (CID 143982085) is N-[4-[4-[2,2-bis(4-tert-butylphenyl)ethyl]phenyl]phenyl]-N-(4-tert-butylphenyl)-6,6,9,18,18-pentamethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaen-3-amine.
What is the SMILES notation for N-[4-[4-[2,2-bis(4-tert-butylphenyl)ethyl]phenyl]phenyl]-N-(4-tert-butylphenyl)-6,6,9,18,18-pentamethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaen-3-amine?
The canonical SMILES for N-[4-[4-[2,2-bis(4-tert-butylphenyl)ethyl]phenyl]phenyl]-N-(4-tert-butylphenyl)-6,6,9,18,18-pentamethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaen-3-amine is Cc1cc2c3c4c(cccc14)C(C)(C)c1cc(N(c4ccc(-c5ccc(CC(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cc5)cc4)c4ccc(C(C)(C)C)cc4)cc(c1-3)C2(C)C.
What is the InChIKey of N-[4-[4-[2,2-bis(4-tert-butylphenyl)ethyl]phenyl]phenyl]-N-(4-tert-butylphenyl)-6,6,9,18,18-pentamethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaen-3-amine?
The InChIKey is SFHZTKNWQXKJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H71N/c1-42-38-57-62-60-54(42)16-15-17-56(60)66(11,12)58-40-53(41-59(61(58)62)67(57,13)14)68(52-36-32-50(33-37-52)65(8,9)10)51-34-26-45(27-35-51)44-20-18-43(19-21-44)39-55(46-22-28-48(29-23-46)63(2,3)4)47-24-30-49(31-25-47)64(5,6)7/h15-38,40-41,55H,39H2,1-14H3.
What are the key properties of N-[4-[4-[2,2-bis(4-tert-butylphenyl)ethyl]phenyl]phenyl]-N-(4-tert-butylphenyl)-6,6,9,18,18-pentamethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaen-3-amine?
N-[4-[4-[2,2-bis(4-tert-butylphenyl)ethyl]phenyl]phenyl]-N-(4-tert-butylphenyl)-6,6,9,18,18-pentamethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaen-3-amine has a molecular weight of 890.31 g/mol, XLogP of 18.50, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2,2-bis(4-tert-butylphenyl)ethyl]phenyl]phenyl]-N-(4-tert-butylphenyl)-6,6,9,18,18-pentamethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaen-3-amine is sourced from PubChem (CID 143982085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).