N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6,8,10(30),11(27),12,14(28),15,17,19(29),20,22,24-pentadecaen-5-amine

C59H41N — CID 20733595

IUPACN-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6,8,10(30),11(27),12,14(28),15,17,19(29),20,22,24-pentadecaen-5-amine
SMILESCc1ccc(C(=Cc2ccc(N(c3ccc(C)cc3)c3ccc4c5ccc6c7cccc8cccc(c9ccc(c%10cccc3c%104)c5c96)c87)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C59H41N/c1-36-13-21-40(22-14-36)54(41-23-15-37(2)16-24-41)35-39-19-27-44(28-20-39)60(43-25-17-38(3)18-26-43)55-34-33-48-52-32-30-50-46-10-5-8-42-7-4-9-45(56(42)46)49-29-31-51(59(52)58(49)50)47-11-6-12-53(55)57(47)48/h4-35H,1-3H3
InChIKeyMCQBQVLSGKCWRG-UHFFFAOYSA-N
MW763.98 g/mol
LogP16.62
Rot. Bonds6

About N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6,8,10(30),11(27),12,14(28),15,17,19(29),20,22,24-pentadecaen-5-amine

N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6,8,10(30),11(27),12,14(28),15,17,19(29),20,22,24-pentadecaen-5-amine (PubChem CID 20733595) has the molecular formula C59H41N and a molecular weight of 763.98 g/mol. Its IUPAC name is N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6,8,10(30),11(27),12,14(28),15,17,19(29),20,22,24-pentadecaen-5-amine.

Molecular Properties

Compound NameN-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6,8,10(30),11(27),12,14(28),15,17,19(29),20,22,24-pentadecaen-5-amine
PubChem CID20733595
Molecular FormulaC59H41N
Molecular Weight763.98 g/mol
Exact Mass763.32
IUPAC NameN-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6,8,10(30),11(27),12,14(28),15,17,19(29),20,22,24-pentadecaen-5-amine
SMILESCc1ccc(C(=Cc2ccc(N(c3ccc(C)cc3)c3ccc4c5ccc6c7cccc8cccc(c9ccc(c%10cccc3c%104)c5c96)c87)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C59H41N/c1-36-13-21-40(22-14-36)54(41-23-15-37(2)16-24-41)35-39-19-27-44(28-20-39)60(43-25-17-38(3)18-26-43)55-34-33-48-52-32-30-50-46-10-5-8-42-7-4-9-45(56(42)46)49-29-31-51(59(52)58(49)50)47-11-6-12-53(55)57(47)48/h4-35H,1-3H3
InChIKeyMCQBQVLSGKCWRG-UHFFFAOYSA-N
XLogP16.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.98
LogP ≤ 516.62
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6,8,10(30),11(27),12,14(28),15,17,19(29),20,22,24-pentadecaen-5-amine with MolForge

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Related Compounds

9-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-6,12-dimethyl-3-N,9-N-bis(4-methylphenyl)-3-N-[4-[(Z)-2-(4-methylphenyl)-2-phenylethenyl]phenyl]perylene-3,9-diamine
CID 20816635
4-[2,2-bis(4-methylphenyl)ethenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-(4-methylphenyl)naphthalen-1-amine;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-(4-methylphenyl)naphthalen-1-amine
CID 161213338
3-N,8-N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-3-N,8-N-bis(4-methylphenyl)fluoranthene-3,8-diamine
CID 87372229
4-[2,2-bis(4-methylphenyl)ethenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylnaphthalen-1-amine;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 157429569
3-N,3-N,10-N-tris(4-methylphenyl)-10-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine
CID 20789612
3-N,3-N,10-N,10-N-tetrakis(4-methylphenyl)perylene-3,10-diamine
CID 20710089
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 22899856
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)perylen-3-amine
CID 20733774
6-[2-(4-benzylphenyl)-2-phenylethenyl]-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 77419755
N-[4-[2,2-bis(4-chlorophenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 71096918
bis(1-(2,2-diphenylethenyl)-4-methylbenzene);bis(8-[4-(2,2-diphenylethenyl)phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene)
CID 159085112

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6,8,10(30),11(27),12,14(28),15,17,19(29),20,22,24-pentadecaen-5-amine?
The IUPAC name of N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6,8,10(30),11(27),12,14(28),15,17,19(29),20,22,24-pentadecaen-5-amine (CID 20733595) is N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6,8,10(30),11(27),12,14(28),15,17,19(29),20,22,24-pentadecaen-5-amine.
What is the SMILES notation for N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6,8,10(30),11(27),12,14(28),15,17,19(29),20,22,24-pentadecaen-5-amine?
The canonical SMILES for N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6,8,10(30),11(27),12,14(28),15,17,19(29),20,22,24-pentadecaen-5-amine is Cc1ccc(C(=Cc2ccc(N(c3ccc(C)cc3)c3ccc4c5ccc6c7cccc8cccc(c9ccc(c%10cccc3c%104)c5c96)c87)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6,8,10(30),11(27),12,14(28),15,17,19(29),20,22,24-pentadecaen-5-amine?
The InChIKey is MCQBQVLSGKCWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N/c1-36-13-21-40(22-14-36)54(41-23-15-37(2)16-24-41)35-39-19-27-44(28-20-39)60(43-25-17-38(3)18-26-43)55-34-33-48-52-32-30-50-46-10-5-8-42-7-4-9-45(56(42)46)49-29-31-51(59(52)58(49)50)47-11-6-12-53(55)57(47)48/h4-35H,1-3H3.
What are the key properties of N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6,8,10(30),11(27),12,14(28),15,17,19(29),20,22,24-pentadecaen-5-amine?
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6,8,10(30),11(27),12,14(28),15,17,19(29),20,22,24-pentadecaen-5-amine has a molecular weight of 763.98 g/mol, XLogP of 16.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6,8,10(30),11(27),12,14(28),15,17,19(29),20,22,24-pentadecaen-5-amine is sourced from PubChem (CID 20733595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).