N-(4-ethenylphenyl)-17-[(4-ethenylphenyl)-naphthalen-1-ylmethyl]-N-naphthalen-1-ylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaen-4-amine

C63H43N — CID 139545375

IUPACN-(4-ethenylphenyl)-17-[(4-ethenylphenyl)-naphthalen-1-ylmethyl]-N-naphthalen-1-ylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaen-4-amine
SMILESC=Cc1ccc(C(c2ccc3c4ccccc4c4c5cc(N(c6ccc(C=C)cc6)c6cccc7ccccc67)ccc5c5ccccc5c4c3c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C63H43N/c1-3-41-27-31-45(32-28-41)61(55-25-13-17-43-15-5-7-19-49(43)55)46-33-37-53-51-21-9-12-24-57(51)63-59-40-48(36-38-54(59)52-22-10-11-23-56(52)62(63)58(53)39-46)64(47-34-29-42(4-2)30-35-47)60-26-14-18-44-16-6-8-20-50(44)60/h3-40,61H,1-2H2
InChIKeyYRKQOVTVYSPTOA-UHFFFAOYSA-N
MW814.04 g/mol
LogP17.69
Rot. Bonds8

About N-(4-ethenylphenyl)-17-[(4-ethenylphenyl)-naphthalen-1-ylmethyl]-N-naphthalen-1-ylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaen-4-amine

N-(4-ethenylphenyl)-17-[(4-ethenylphenyl)-naphthalen-1-ylmethyl]-N-naphthalen-1-ylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaen-4-amine (PubChem CID 139545375) has the molecular formula C63H43N and a molecular weight of 814.04 g/mol. Its IUPAC name is N-(4-ethenylphenyl)-17-[(4-ethenylphenyl)-naphthalen-1-ylmethyl]-N-naphthalen-1-ylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaen-4-amine.

Molecular Properties

Compound NameN-(4-ethenylphenyl)-17-[(4-ethenylphenyl)-naphthalen-1-ylmethyl]-N-naphthalen-1-ylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaen-4-amine
PubChem CID139545375
Molecular FormulaC63H43N
Molecular Weight814.04 g/mol
Exact Mass813.34
IUPAC NameN-(4-ethenylphenyl)-17-[(4-ethenylphenyl)-naphthalen-1-ylmethyl]-N-naphthalen-1-ylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaen-4-amine
SMILESC=Cc1ccc(C(c2ccc3c4ccccc4c4c5cc(N(c6ccc(C=C)cc6)c6cccc7ccccc67)ccc5c5ccccc5c4c3c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C63H43N/c1-3-41-27-31-45(32-28-41)61(55-25-13-17-43-15-5-7-19-49(43)55)46-33-37-53-51-21-9-12-24-57(51)63-59-40-48(36-38-54(59)52-22-10-11-23-56(52)62(63)58(53)39-46)64(47-34-29-42(4-2)30-35-47)60-26-14-18-44-16-6-8-20-50(44)60/h3-40,61H,1-2H2
InChIKeyYRKQOVTVYSPTOA-UHFFFAOYSA-N
XLogP17.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.04
LogP ≤ 517.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N-(4-ethenylphenyl)-17-[(4-ethenylphenyl)-naphthalen-1-ylmethyl]-N-naphthalen-1-ylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaen-4-amine with MolForge

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Related Compounds

N-(4-ethenylphenyl)-N-naphthalen-1-ylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaen-4-amine
CID 144754323
4-N,17-N-bis(4-ethenylphenyl)-17-N-[(1E)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-2-enyl]-4-N-naphthalen-1-ylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene-4,17-diamine
CID 144946695
9,9-bis[4-(3-ethenylphenyl)butyl]-N-naphthalen-1-yl-7-[naphthalen-1-yl(phenyl)methyl]-N-phenylfluoren-2-amine
CID 89368395
4-N,11-N-bis(4-ethenylphenyl)-4-N,11-N-dinaphthalen-1-yl-18-(1,1,2,2,2-pentafluoroethyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene-4,11-diamine
CID 89369097
N-(9,9-dimethylfluoren-2-yl)-5-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylmethyl]-N-naphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine
CID 121260565
N-naphthalen-1-yl-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167410701
3-N-(4-butan-2-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59747058
9-(4-ethenylphenyl)-N-[4-[4-[4-[[9-(4-ethenylphenyl)-9-phenylfluoren-2-yl]-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 170070824
N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine
CID 58870889
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylchrysene-3,6-diamine
CID 170410600
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
5-bromo-3-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-1-N,3-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,3-diamine
CID 122552094

Frequently Asked Questions

What is the IUPAC name of N-(4-ethenylphenyl)-17-[(4-ethenylphenyl)-naphthalen-1-ylmethyl]-N-naphthalen-1-ylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaen-4-amine?
The IUPAC name of N-(4-ethenylphenyl)-17-[(4-ethenylphenyl)-naphthalen-1-ylmethyl]-N-naphthalen-1-ylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaen-4-amine (CID 139545375) is N-(4-ethenylphenyl)-17-[(4-ethenylphenyl)-naphthalen-1-ylmethyl]-N-naphthalen-1-ylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaen-4-amine.
What is the SMILES notation for N-(4-ethenylphenyl)-17-[(4-ethenylphenyl)-naphthalen-1-ylmethyl]-N-naphthalen-1-ylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaen-4-amine?
The canonical SMILES for N-(4-ethenylphenyl)-17-[(4-ethenylphenyl)-naphthalen-1-ylmethyl]-N-naphthalen-1-ylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaen-4-amine is C=Cc1ccc(C(c2ccc3c4ccccc4c4c5cc(N(c6ccc(C=C)cc6)c6cccc7ccccc67)ccc5c5ccccc5c4c3c2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-ethenylphenyl)-17-[(4-ethenylphenyl)-naphthalen-1-ylmethyl]-N-naphthalen-1-ylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaen-4-amine?
The InChIKey is YRKQOVTVYSPTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N/c1-3-41-27-31-45(32-28-41)61(55-25-13-17-43-15-5-7-19-49(43)55)46-33-37-53-51-21-9-12-24-57(51)63-59-40-48(36-38-54(59)52-22-10-11-23-56(52)62(63)58(53)39-46)64(47-34-29-42(4-2)30-35-47)60-26-14-18-44-16-6-8-20-50(44)60/h3-40,61H,1-2H2.
What are the key properties of N-(4-ethenylphenyl)-17-[(4-ethenylphenyl)-naphthalen-1-ylmethyl]-N-naphthalen-1-ylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaen-4-amine?
N-(4-ethenylphenyl)-17-[(4-ethenylphenyl)-naphthalen-1-ylmethyl]-N-naphthalen-1-ylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaen-4-amine has a molecular weight of 814.04 g/mol, XLogP of 17.69, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenylphenyl)-17-[(4-ethenylphenyl)-naphthalen-1-ylmethyl]-N-naphthalen-1-ylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaen-4-amine is sourced from PubChem (CID 139545375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).