N-[4-(cyclohexylidenemethyl)phenyl]-N-(4-methylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine

C48H37N — CID 20733637

IUPACN-[4-(cyclohexylidenemethyl)phenyl]-N-(4-methylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine
SMILESCc1ccc(N(c2ccc(C=C3CCCCC3)cc2)c2c3ccccc3c3c4c2cccc4c2cccc4cc5ccccc5c3c42)cc1
InChIInChI=1S/C48H37N/c1-31-21-25-36(26-22-31)49(37-27-23-33(24-28-37)29-32-11-3-2-4-12-32)48-42-17-8-7-16-41(42)47-45-40(19-10-20-43(45)48)39-18-9-14-35-30-34-13-5-6-15-38(34)46(47)44(35)39/h5-10,13-30H,2-4,11-12H2,1H3
InChIKeyCKBORGFWFSRGFQ-UHFFFAOYSA-N
MW627.83 g/mol
LogP14.17
Rot. Bonds4

About N-[4-(cyclohexylidenemethyl)phenyl]-N-(4-methylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine

N-[4-(cyclohexylidenemethyl)phenyl]-N-(4-methylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine (PubChem CID 20733637) has the molecular formula C48H37N and a molecular weight of 627.83 g/mol. Its IUPAC name is N-[4-(cyclohexylidenemethyl)phenyl]-N-(4-methylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine.

Molecular Properties

Compound NameN-[4-(cyclohexylidenemethyl)phenyl]-N-(4-methylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine
PubChem CID20733637
Molecular FormulaC48H37N
Molecular Weight627.83 g/mol
Exact Mass627.29
IUPAC NameN-[4-(cyclohexylidenemethyl)phenyl]-N-(4-methylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine
SMILESCc1ccc(N(c2ccc(C=C3CCCCC3)cc2)c2c3ccccc3c3c4c2cccc4c2cccc4cc5ccccc5c3c42)cc1
InChIInChI=1S/C48H37N/c1-31-21-25-36(26-22-31)49(37-27-23-33(24-28-37)29-32-11-3-2-4-12-32)48-42-17-8-7-16-41(42)47-45-40(19-10-20-43(45)48)39-18-9-14-35-30-34-13-5-6-15-38(34)46(47)44(35)39/h5-10,13-30H,2-4,11-12H2,1H3
InChIKeyCKBORGFWFSRGFQ-UHFFFAOYSA-N
XLogP14.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.83
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[4-(cyclohexylidenemethyl)phenyl]-N-(4-methylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine with MolForge

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Related Compounds

9-N-[4-(cyclohexylidenemethyl)phenyl]-20-N,20-N-bis(4-methylphenyl)-9-N-phenyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine
CID 20733621
9-N,20-N-bis[4-(cyclohexylidenemethyl)phenyl]-9-N,20-N-diphenylheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine
CID 20733566
9-N,9-N,10-N,10-N-tetrakis[4-(cyclohexylidenemethyl)phenyl]anthracene-9,10-diamine
CID 20733877
N-[4-(cyclohexylidenemethyl)phenyl]-10-[10-[N-[4-(cyclohexylidenemethyl)phenyl]-4-[(E)-2-(4-methylphenyl)ethenyl]anilino]anthracen-9-yl]-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]anthracen-9-amine
CID 20731057
1-N,4-N-bis[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-2,3-dimethyl-1-N,4-N-bis(4-methylphenyl)naphthalene-1,4-diamine
CID 20731073
5-N,18-N-bis[4-(cyclohexylidenemethyl)phenyl]-5-N,18-N-bis(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(27),2,4,6,8,10(30),11,13,15,17,19,21,23(29),24(28),25-pentadecaene-5,18-diamine
CID 20733639
N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)perylen-3-amine
CID 20733774
N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)triphenylen-2-amine
CID 20733776
N,N-bis(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine
CID 20733629
9-N,22-N-bis(4-methylphenyl)-9-N,22-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15(27),16,18,20,22,24-tetradecaene-9,22-diamine;9-N,20-N-bis(4-methylphenyl)-9-N,20-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine;9-N,9-N,20-N-tris(4-methylphenyl)-20-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine
CID 158909704
6-N-[4-(cyclohexylidenemethyl)phenyl]-2-N,2-N,6-N-tris(4-methylphenyl)tetraphenylene-2,6-diamine
CID 20733792
9-N,10-N-di(anthracen-9-yl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58612532

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylidenemethyl)phenyl]-N-(4-methylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine?
The IUPAC name of N-[4-(cyclohexylidenemethyl)phenyl]-N-(4-methylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine (CID 20733637) is N-[4-(cyclohexylidenemethyl)phenyl]-N-(4-methylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine.
What is the SMILES notation for N-[4-(cyclohexylidenemethyl)phenyl]-N-(4-methylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine?
The canonical SMILES for N-[4-(cyclohexylidenemethyl)phenyl]-N-(4-methylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine is Cc1ccc(N(c2ccc(C=C3CCCCC3)cc2)c2c3ccccc3c3c4c2cccc4c2cccc4cc5ccccc5c3c42)cc1.
What is the InChIKey of N-[4-(cyclohexylidenemethyl)phenyl]-N-(4-methylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine?
The InChIKey is CKBORGFWFSRGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37N/c1-31-21-25-36(26-22-31)49(37-27-23-33(24-28-37)29-32-11-3-2-4-12-32)48-42-17-8-7-16-41(42)47-45-40(19-10-20-43(45)48)39-18-9-14-35-30-34-13-5-6-15-38(34)46(47)44(35)39/h5-10,13-30H,2-4,11-12H2,1H3.
What are the key properties of N-[4-(cyclohexylidenemethyl)phenyl]-N-(4-methylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine?
N-[4-(cyclohexylidenemethyl)phenyl]-N-(4-methylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine has a molecular weight of 627.83 g/mol, XLogP of 14.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylidenemethyl)phenyl]-N-(4-methylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine is sourced from PubChem (CID 20733637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).