14-N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-2-N,6-N,10-N,14-N-tetrakis(4-methylphenyl)-2-N,6-N,10-N-tris[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]tetraphenylene-2,6,10,14-tetramine

C118H100N4 — CID 20733676

IUPAC14-N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-2-N,6-N,10-N,14-N-tetrakis(4-methylphenyl)-2-N,6-N,10-N-tris[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]tetraphenylene-2,6,10,14-tetramine
SMILESCc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3ccc4c(c3)-c3ccc(N(c5ccc(C)cc5)c5ccc(/C=C/c6ccc(C)cc6)cc5)cc3-c3ccc(N(c5ccc(C)cc5)c5ccc(/C=C/c6ccc(C=C7CCCCC7)cc6)cc5)cc3-c3ccc(N(c5ccc(C)cc5)c5ccc(/C=C/c6ccc(C)cc6)cc5)cc3-4)cc2)cc1
InChIInChI=1S/C118H100N4/c1-82-13-27-89(28-14-82)33-37-93-45-61-103(62-46-93)119(99-53-19-85(4)20-54-99)107-69-73-111-115(78-107)112-74-70-108(120(100-55-21-86(5)22-56-100)104-63-47-94(48-64-104)38-34-90-29-15-83(2)16-30-90)80-117(112)114-76-72-110(122(102-59-25-88(7)26-60-102)106-67-51-96(52-68-106)40-36-92-41-43-98(44-42-92)77-97-11-9-8-10-12-97)81-118(114)113-75-71-109(79-116(111)113)121(101-57-23-87(6)24-58-101)105-65-49-95(50-66-105)39-35-91-31-17-84(3)18-32-91/h13-81H,8-12H2,1-7H3/b37-33+,38-34+,39-35+,40-36+,115-112-,116-111-,117-114-,118-113-
InChIKeyXQXNXGUHSGFLRW-MNOZNRDJSA-N
MW1574.13 g/mol
LogP33.74
Rot. Bonds21

About 14-N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-2-N,6-N,10-N,14-N-tetrakis(4-methylphenyl)-2-N,6-N,10-N-tris[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]tetraphenylene-2,6,10,14-tetramine

14-N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-2-N,6-N,10-N,14-N-tetrakis(4-methylphenyl)-2-N,6-N,10-N-tris[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]tetraphenylene-2,6,10,14-tetramine (PubChem CID 20733676) has the molecular formula C118H100N4 and a molecular weight of 1574.13 g/mol. Its IUPAC name is 14-N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-2-N,6-N,10-N,14-N-tetrakis(4-methylphenyl)-2-N,6-N,10-N-tris[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]tetraphenylene-2,6,10,14-tetramine.

Molecular Properties

Compound Name14-N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-2-N,6-N,10-N,14-N-tetrakis(4-methylphenyl)-2-N,6-N,10-N-tris[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]tetraphenylene-2,6,10,14-tetramine
PubChem CID20733676
Molecular FormulaC118H100N4
Molecular Weight1574.13 g/mol
Exact Mass1572.79
IUPAC Name14-N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-2-N,6-N,10-N,14-N-tetrakis(4-methylphenyl)-2-N,6-N,10-N-tris[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]tetraphenylene-2,6,10,14-tetramine
SMILESCc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3ccc4c(c3)-c3ccc(N(c5ccc(C)cc5)c5ccc(/C=C/c6ccc(C)cc6)cc5)cc3-c3ccc(N(c5ccc(C)cc5)c5ccc(/C=C/c6ccc(C=C7CCCCC7)cc6)cc5)cc3-c3ccc(N(c5ccc(C)cc5)c5ccc(/C=C/c6ccc(C)cc6)cc5)cc3-4)cc2)cc1
InChIInChI=1S/C118H100N4/c1-82-13-27-89(28-14-82)33-37-93-45-61-103(62-46-93)119(99-53-19-85(4)20-54-99)107-69-73-111-115(78-107)112-74-70-108(120(100-55-21-86(5)22-56-100)104-63-47-94(48-64-104)38-34-90-29-15-83(2)16-30-90)80-117(112)114-76-72-110(122(102-59-25-88(7)26-60-102)106-67-51-96(52-68-106)40-36-92-41-43-98(44-42-92)77-97-11-9-8-10-12-97)81-118(114)113-75-71-109(79-116(111)113)121(101-57-23-87(6)24-58-101)105-65-49-95(50-66-105)39-35-91-31-17-84(3)18-32-91/h13-81H,8-12H2,1-7H3/b37-33+,38-34+,39-35+,40-36+,115-112-,116-111-,117-114-,118-113-
InChIKeyXQXNXGUHSGFLRW-MNOZNRDJSA-N
XLogP33.74
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001574.13
LogP ≤ 533.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 14-N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-2-N,6-N,10-N,14-N-tetrakis(4-methylphenyl)-2-N,6-N,10-N-tris[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]tetraphenylene-2,6,10,14-tetramine with MolForge

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Related Compounds

6-N-[4-(cyclohexylidenemethyl)phenyl]-2-N,2-N,6-N-tris(4-methylphenyl)tetraphenylene-2,6-diamine
CID 20733792
N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)triphenylen-2-amine
CID 20733776
2-N,6-N-bis[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-10-N-[4-[(E)-2-[4-(cyclohexylmethyl)phenyl]ethenyl]phenyl]-2-N,6-N,10-N-triphenyltetraphenylene-2,6,10-triamine
CID 20733709
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
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
N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)perylen-3-amine
CID 20733774
ethane;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 143133606
N,N-bis[4-(cyclohexylidenemethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 20733834
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
4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline
CID 59805421
N-[4-[2-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline
CID 123191031
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

Frequently Asked Questions

What is the IUPAC name of 14-N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-2-N,6-N,10-N,14-N-tetrakis(4-methylphenyl)-2-N,6-N,10-N-tris[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]tetraphenylene-2,6,10,14-tetramine?
The IUPAC name of 14-N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-2-N,6-N,10-N,14-N-tetrakis(4-methylphenyl)-2-N,6-N,10-N-tris[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]tetraphenylene-2,6,10,14-tetramine (CID 20733676) is 14-N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-2-N,6-N,10-N,14-N-tetrakis(4-methylphenyl)-2-N,6-N,10-N-tris[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]tetraphenylene-2,6,10,14-tetramine.
What is the SMILES notation for 14-N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-2-N,6-N,10-N,14-N-tetrakis(4-methylphenyl)-2-N,6-N,10-N-tris[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]tetraphenylene-2,6,10,14-tetramine?
The canonical SMILES for 14-N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-2-N,6-N,10-N,14-N-tetrakis(4-methylphenyl)-2-N,6-N,10-N-tris[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]tetraphenylene-2,6,10,14-tetramine is Cc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3ccc4c(c3)-c3ccc(N(c5ccc(C)cc5)c5ccc(/C=C/c6ccc(C)cc6)cc5)cc3-c3ccc(N(c5ccc(C)cc5)c5ccc(/C=C/c6ccc(C=C7CCCCC7)cc6)cc5)cc3-c3ccc(N(c5ccc(C)cc5)c5ccc(/C=C/c6ccc(C)cc6)cc5)cc3-4)cc2)cc1.
What is the InChIKey of 14-N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-2-N,6-N,10-N,14-N-tetrakis(4-methylphenyl)-2-N,6-N,10-N-tris[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]tetraphenylene-2,6,10,14-tetramine?
The InChIKey is XQXNXGUHSGFLRW-MNOZNRDJSA-N. The full InChI is InChI=1S/C118H100N4/c1-82-13-27-89(28-14-82)33-37-93-45-61-103(62-46-93)119(99-53-19-85(4)20-54-99)107-69-73-111-115(78-107)112-74-70-108(120(100-55-21-86(5)22-56-100)104-63-47-94(48-64-104)38-34-90-29-15-83(2)16-30-90)80-117(112)114-76-72-110(122(102-59-25-88(7)26-60-102)106-67-51-96(52-68-106)40-36-92-41-43-98(44-42-92)77-97-11-9-8-10-12-97)81-118(114)113-75-71-109(79-116(111)113)121(101-57-23-87(6)24-58-101)105-65-49-95(50-66-105)39-35-91-31-17-84(3)18-32-91/h13-81H,8-12H2,1-7H3/b37-33+,38-34+,39-35+,40-36+,115-112-,116-111-,117-114-,118-113-.
What are the key properties of 14-N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-2-N,6-N,10-N,14-N-tetrakis(4-methylphenyl)-2-N,6-N,10-N-tris[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]tetraphenylene-2,6,10,14-tetramine?
14-N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-2-N,6-N,10-N,14-N-tetrakis(4-methylphenyl)-2-N,6-N,10-N-tris[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]tetraphenylene-2,6,10,14-tetramine has a molecular weight of 1574.13 g/mol, XLogP of 33.74, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-2-N,6-N,10-N,14-N-tetrakis(4-methylphenyl)-2-N,6-N,10-N-tris[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]tetraphenylene-2,6,10,14-tetramine is sourced from PubChem (CID 20733676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).