N-(3,5-dimethylphenyl)-N-[4-[4-ethyl-3-[(Z)-2-methylhex-4-en-2-yl]phenyl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine

C50H50N2 — CID 143983630

IUPACN-(3,5-dimethylphenyl)-N-[4-[4-ethyl-3-[(Z)-2-methylhex-4-en-2-yl]phenyl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
SMILESC/C=C\CC(C)(C)c1cc(-c2ccc(N(c3cc(C)cc(C)c3)c3ccc4c(c3)c3cccc5c3n4-c3ccccc3C5(C)C)cc2)ccc1CC
InChIInChI=1S/C50H50N2/c1-9-11-27-49(5,6)45-31-37(20-19-35(45)10-2)36-21-23-38(24-22-36)51(40-29-33(3)28-34(4)30-40)39-25-26-46-42(32-39)41-15-14-17-44-48(41)52(46)47-18-13-12-16-43(47)50(44,7)8/h9,11-26,28-32H,10,27H2,1-8H3/b11-9-
InChIKeyAYAHEEXAGYPYEV-LUAWRHEFSA-N
MW678.96 g/mol
LogP13.98
Rot. Bonds8

About N-(3,5-dimethylphenyl)-N-[4-[4-ethyl-3-[(Z)-2-methylhex-4-en-2-yl]phenyl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine

N-(3,5-dimethylphenyl)-N-[4-[4-ethyl-3-[(Z)-2-methylhex-4-en-2-yl]phenyl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine (PubChem CID 143983630) has the molecular formula C50H50N2 and a molecular weight of 678.96 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-[4-[4-ethyl-3-[(Z)-2-methylhex-4-en-2-yl]phenyl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-[4-[4-ethyl-3-[(Z)-2-methylhex-4-en-2-yl]phenyl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
PubChem CID143983630
Molecular FormulaC50H50N2
Molecular Weight678.96 g/mol
Exact Mass678.40
IUPAC NameN-(3,5-dimethylphenyl)-N-[4-[4-ethyl-3-[(Z)-2-methylhex-4-en-2-yl]phenyl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
SMILESC/C=C\CC(C)(C)c1cc(-c2ccc(N(c3cc(C)cc(C)c3)c3ccc4c(c3)c3cccc5c3n4-c3ccccc3C5(C)C)cc2)ccc1CC
InChIInChI=1S/C50H50N2/c1-9-11-27-49(5,6)45-31-37(20-19-35(45)10-2)36-21-23-38(24-22-36)51(40-29-33(3)28-34(4)30-40)39-25-26-46-42(32-39)41-15-14-17-44-48(41)52(46)47-18-13-12-16-43(47)50(44,7)8/h9,11-26,28-32H,10,27H2,1-8H3/b11-9-
InChIKeyAYAHEEXAGYPYEV-LUAWRHEFSA-N
XLogP13.98
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.96
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,5-dimethylphenyl)-N-[4-[4-ethyl-3-[(Z)-2-methylhex-4-en-2-yl]phenyl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine with MolForge

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Related Compounds

N-(3,5-dimethylphenyl)-13,13-dimethyl-N-(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70893054
N-(3,5-dimethylphenyl)-13,13-dimethyl-N-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70892951
13,13-dimethyl-N,N-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 67325570
N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 70893086
4-(N-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-3-methylanilino)benzonitrile
CID 70885418
13,13-dimethyl-N,N-diphenyl-5-[4-(N-phenylanilino)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-amine
CID 70893229
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-13,13-dimethyl-N-naphthalen-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70893350
N-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70893084
4-(N-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)anilino)benzonitrile
CID 70885552
N-[4-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121445356
13,13-dimethyl-N-(3-methylphenyl)-N-pyridin-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70886309
4-N,4-N-bis(13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 89211308

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-[4-[4-ethyl-3-[(Z)-2-methylhex-4-en-2-yl]phenyl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-N-[4-[4-ethyl-3-[(Z)-2-methylhex-4-en-2-yl]phenyl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine (CID 143983630) is N-(3,5-dimethylphenyl)-N-[4-[4-ethyl-3-[(Z)-2-methylhex-4-en-2-yl]phenyl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-[4-[4-ethyl-3-[(Z)-2-methylhex-4-en-2-yl]phenyl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-[4-[4-ethyl-3-[(Z)-2-methylhex-4-en-2-yl]phenyl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine is C/C=C\CC(C)(C)c1cc(-c2ccc(N(c3cc(C)cc(C)c3)c3ccc4c(c3)c3cccc5c3n4-c3ccccc3C5(C)C)cc2)ccc1CC.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-[4-[4-ethyl-3-[(Z)-2-methylhex-4-en-2-yl]phenyl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine?
The InChIKey is AYAHEEXAGYPYEV-LUAWRHEFSA-N. The full InChI is InChI=1S/C50H50N2/c1-9-11-27-49(5,6)45-31-37(20-19-35(45)10-2)36-21-23-38(24-22-36)51(40-29-33(3)28-34(4)30-40)39-25-26-46-42(32-39)41-15-14-17-44-48(41)52(46)47-18-13-12-16-43(47)50(44,7)8/h9,11-26,28-32H,10,27H2,1-8H3/b11-9-.
What are the key properties of N-(3,5-dimethylphenyl)-N-[4-[4-ethyl-3-[(Z)-2-methylhex-4-en-2-yl]phenyl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine?
N-(3,5-dimethylphenyl)-N-[4-[4-ethyl-3-[(Z)-2-methylhex-4-en-2-yl]phenyl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine has a molecular weight of 678.96 g/mol, XLogP of 13.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-[4-[4-ethyl-3-[(Z)-2-methylhex-4-en-2-yl]phenyl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine is sourced from PubChem (CID 143983630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).