N-(2-methyl-5-propan-2-ylphenyl)-4,11-diphenyl-N-(3-phenylphenyl)hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-19-amine

C58H43N — CID 166033332

IUPACN-(2-methyl-5-propan-2-ylphenyl)-4,11-diphenyl-N-(3-phenylphenyl)hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-19-amine
SMILESCc1ccc(C(C)C)cc1N(c1cccc(-c2ccccc2)c1)c1ccc2cc3c(cc2c1)-c1cc2c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c2cc1-3
InChIInChI=1S/C58H43N/c1-37(2)42-27-26-38(3)56(34-42)59(46-23-15-22-43(30-46)39-16-7-4-8-17-39)47-29-28-44-32-50-51(33-45(44)31-47)53-36-55-54(35-52(50)53)57(40-18-9-5-10-19-40)48-24-13-14-25-49(48)58(55)41-20-11-6-12-21-41/h4-37H,1-3H3
InChIKeyACNNILVQNOXYQO-UHFFFAOYSA-N
MW753.99 g/mol
LogP16.70
Rot. Bonds7

About N-(2-methyl-5-propan-2-ylphenyl)-4,11-diphenyl-N-(3-phenylphenyl)hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-19-amine

N-(2-methyl-5-propan-2-ylphenyl)-4,11-diphenyl-N-(3-phenylphenyl)hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-19-amine (PubChem CID 166033332) has the molecular formula C58H43N and a molecular weight of 753.99 g/mol. Its IUPAC name is N-(2-methyl-5-propan-2-ylphenyl)-4,11-diphenyl-N-(3-phenylphenyl)hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-19-amine.

Molecular Properties

Compound NameN-(2-methyl-5-propan-2-ylphenyl)-4,11-diphenyl-N-(3-phenylphenyl)hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-19-amine
PubChem CID166033332
Molecular FormulaC58H43N
Molecular Weight753.99 g/mol
Exact Mass753.34
IUPAC NameN-(2-methyl-5-propan-2-ylphenyl)-4,11-diphenyl-N-(3-phenylphenyl)hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-19-amine
SMILESCc1ccc(C(C)C)cc1N(c1cccc(-c2ccccc2)c1)c1ccc2cc3c(cc2c1)-c1cc2c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c2cc1-3
InChIInChI=1S/C58H43N/c1-37(2)42-27-26-38(3)56(34-42)59(46-23-15-22-43(30-46)39-16-7-4-8-17-39)47-29-28-44-32-50-51(33-45(44)31-47)53-36-55-54(35-52(50)53)57(40-18-9-5-10-19-40)48-24-13-14-25-49(48)58(55)41-20-11-6-12-21-41/h4-37H,1-3H3
InChIKeyACNNILVQNOXYQO-UHFFFAOYSA-N
XLogP16.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.99
LogP ≤ 516.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-(2-methyl-5-propan-2-ylphenyl)-4,11-diphenyl-N-(3-phenylphenyl)hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-19-amine with MolForge

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Related Compounds

6-N,16-N-bis(2-methyl-5-propan-2-ylphenyl)-3,10,13,20-tetraphenyl-6-N,16-N-bis(3-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine
CID 166032949
6-N,6-N,16-N,16-N-tetrakis(2-methyl-5-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166032047
N-(5-tert-butyl-2-methylphenyl)-N-(3-tert-butylphenyl)-4,11-diphenylhexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-19-amine
CID 166032942
N-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-(2-methyl-5-propan-2-ylphenyl)dibenzofuran-4-amine
CID 166033505
6-N,17-N-bis(2-methyl-5-phenylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166032778
6-N,6-N,16-N,16-N-tetrakis(2-methyl-5-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166031810
9-N,23-N-bis(2-methyl-5-phenylphenyl)-9-N,23-N-bis(2-methyl-5-propan-2-ylphenyl)-2,16-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155360620
16-N-(2-methyl-5-phenylphenyl)-6-N,6-N,16-N-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166033581
N-(2,6-dimethylphenyl)-13,20-diphenyl-N-(3-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine
CID 166033083
N,N,4,11-tetraphenylhexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-19-amine
CID 166032864
16-phenyl-N-(3-propan-2-ylphenyl)-N-(4-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032756
N-(5-tert-butyl-2-methylphenyl)-17-phenyl-N-(3-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166033300

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-propan-2-ylphenyl)-4,11-diphenyl-N-(3-phenylphenyl)hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-19-amine?
The IUPAC name of N-(2-methyl-5-propan-2-ylphenyl)-4,11-diphenyl-N-(3-phenylphenyl)hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-19-amine (CID 166033332) is N-(2-methyl-5-propan-2-ylphenyl)-4,11-diphenyl-N-(3-phenylphenyl)hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-19-amine.
What is the SMILES notation for N-(2-methyl-5-propan-2-ylphenyl)-4,11-diphenyl-N-(3-phenylphenyl)hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-19-amine?
The canonical SMILES for N-(2-methyl-5-propan-2-ylphenyl)-4,11-diphenyl-N-(3-phenylphenyl)hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-19-amine is Cc1ccc(C(C)C)cc1N(c1cccc(-c2ccccc2)c1)c1ccc2cc3c(cc2c1)-c1cc2c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c2cc1-3.
What is the InChIKey of N-(2-methyl-5-propan-2-ylphenyl)-4,11-diphenyl-N-(3-phenylphenyl)hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-19-amine?
The InChIKey is ACNNILVQNOXYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43N/c1-37(2)42-27-26-38(3)56(34-42)59(46-23-15-22-43(30-46)39-16-7-4-8-17-39)47-29-28-44-32-50-51(33-45(44)31-47)53-36-55-54(35-52(50)53)57(40-18-9-5-10-19-40)48-24-13-14-25-49(48)58(55)41-20-11-6-12-21-41/h4-37H,1-3H3.
What are the key properties of N-(2-methyl-5-propan-2-ylphenyl)-4,11-diphenyl-N-(3-phenylphenyl)hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-19-amine?
N-(2-methyl-5-propan-2-ylphenyl)-4,11-diphenyl-N-(3-phenylphenyl)hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-19-amine has a molecular weight of 753.99 g/mol, XLogP of 16.70, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-propan-2-ylphenyl)-4,11-diphenyl-N-(3-phenylphenyl)hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-19-amine is sourced from PubChem (CID 166033332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).