15-naphthalen-2-yl-N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine

C60H42N2Si — CID 123555139

IUPAC15-naphthalen-2-yl-N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc3c4c2ccc2cccc(c24)n3-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C60H42N2Si/c1-5-19-48(20-6-1)61(56-40-41-58-60-55(56)39-33-46-18-15-27-57(59(46)60)62(58)50-36-30-43-16-13-14-17-47(43)42-50)49-34-28-44(29-35-49)45-31-37-54(38-32-45)63(51-21-7-2-8-22-51,52-23-9-3-10-24-52)53-25-11-4-12-26-53/h1-42H
InChIKeyGQIIJWOLSRQJTM-UHFFFAOYSA-N
MW819.10 g/mol
LogP13.04
Rot. Bonds9

About 15-naphthalen-2-yl-N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine

15-naphthalen-2-yl-N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine (PubChem CID 123555139) has the molecular formula C60H42N2Si and a molecular weight of 819.10 g/mol. Its IUPAC name is 15-naphthalen-2-yl-N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine.

Molecular Properties

Compound Name15-naphthalen-2-yl-N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
PubChem CID123555139
Molecular FormulaC60H42N2Si
Molecular Weight819.10 g/mol
Exact Mass818.31
IUPAC Name15-naphthalen-2-yl-N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc3c4c2ccc2cccc(c24)n3-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C60H42N2Si/c1-5-19-48(20-6-1)61(56-40-41-58-60-55(56)39-33-46-18-15-27-57(59(46)60)62(58)50-36-30-43-16-13-14-17-47(43)42-50)49-34-28-44(29-35-49)45-31-37-54(38-32-45)63(51-21-7-2-8-22-51,52-23-9-3-10-24-52)53-25-11-4-12-26-53/h1-42H
InChIKeyGQIIJWOLSRQJTM-UHFFFAOYSA-N
XLogP13.04
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.10
LogP ≤ 513.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

15-naphthalen-2-yl-N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
CID 123980669
N,15-diphenyl-N-(6-triphenylsilylnaphthalen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
CID 123397867
15-phenyl-N-(9-phenylcarbazol-3-yl)-N-[4-(4-triphenylsilylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
CID 123941303
N-[4-(15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90148408
4-[(15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-pyridin-3-ylamino]benzonitrile
CID 90306529
bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-naphthalen-2-yl-phenylsilane
CID 123447866
N-(4-isocyanophenyl)-15-phenyl-N-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
CID 123464650
4-N,9-N,15-triphenyl-4-N,9-N-bis(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine
CID 90132616
12-(3-naphthalen-2-ylphenyl)-4-N,19-N-diphenyl-4-N,19-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-4,19-diamine
CID 154593358
N-naphthalen-1-yl-9-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine
CID 59720491
N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121311226
N-[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 90128470

Frequently Asked Questions

What is the IUPAC name of 15-naphthalen-2-yl-N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine?
The IUPAC name of 15-naphthalen-2-yl-N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine (CID 123555139) is 15-naphthalen-2-yl-N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine.
What is the SMILES notation for 15-naphthalen-2-yl-N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine?
The canonical SMILES for 15-naphthalen-2-yl-N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine is c1ccc(N(c2ccc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc3c4c2ccc2cccc(c24)n3-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 15-naphthalen-2-yl-N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine?
The InChIKey is GQIIJWOLSRQJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2Si/c1-5-19-48(20-6-1)61(56-40-41-58-60-55(56)39-33-46-18-15-27-57(59(46)60)62(58)50-36-30-43-16-13-14-17-47(43)42-50)49-34-28-44(29-35-49)45-31-37-54(38-32-45)63(51-21-7-2-8-22-51,52-23-9-3-10-24-52)53-25-11-4-12-26-53/h1-42H.
What are the key properties of 15-naphthalen-2-yl-N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine?
15-naphthalen-2-yl-N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine has a molecular weight of 819.10 g/mol, XLogP of 13.04, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-naphthalen-2-yl-N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine is sourced from PubChem (CID 123555139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).