15,15-dimethyl-N-phenyl-10-pyridin-2-yl-N-(4-triphenylsilylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine

C52H40N2Si — CID 90306254

IUPAC15,15-dimethyl-N-phenyl-10-pyridin-2-yl-N-(4-triphenylsilylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine
SMILESCC1(C)c2cc(-c3ccccn3)cc3ccc4cc(N(c5ccccc5)c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc1c4c23
InChIInChI=1S/C52H40N2Si/c1-52(2)47-35-39(49-25-15-16-32-53-49)33-37-26-27-38-34-42(36-48(52)51(38)50(37)47)54(40-17-7-3-8-18-40)41-28-30-46(31-29-41)55(43-19-9-4-10-20-43,44-21-11-5-12-22-44)45-23-13-6-14-24-45/h3-36H,1-2H3
InChIKeyLOAIIJNSLMXBBN-UHFFFAOYSA-N
MW720.99 g/mol
LogP10.54
Rot. Bonds8

About 15,15-dimethyl-N-phenyl-10-pyridin-2-yl-N-(4-triphenylsilylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine

15,15-dimethyl-N-phenyl-10-pyridin-2-yl-N-(4-triphenylsilylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine (PubChem CID 90306254) has the molecular formula C52H40N2Si and a molecular weight of 720.99 g/mol. Its IUPAC name is 15,15-dimethyl-N-phenyl-10-pyridin-2-yl-N-(4-triphenylsilylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine.

Molecular Properties

Compound Name15,15-dimethyl-N-phenyl-10-pyridin-2-yl-N-(4-triphenylsilylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine
PubChem CID90306254
Molecular FormulaC52H40N2Si
Molecular Weight720.99 g/mol
Exact Mass720.30
IUPAC Name15,15-dimethyl-N-phenyl-10-pyridin-2-yl-N-(4-triphenylsilylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine
SMILESCC1(C)c2cc(-c3ccccn3)cc3ccc4cc(N(c5ccccc5)c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc1c4c23
InChIInChI=1S/C52H40N2Si/c1-52(2)47-35-39(49-25-15-16-32-53-49)33-37-26-27-38-34-42(36-48(52)51(38)50(37)47)54(40-17-7-3-8-18-40)41-28-30-46(31-29-41)55(43-19-9-4-10-20-43,44-21-11-5-12-22-44)45-23-13-6-14-24-45/h3-36H,1-2H3
InChIKeyLOAIIJNSLMXBBN-UHFFFAOYSA-N
XLogP10.54
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.99
LogP ≤ 510.54
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

15,15-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;15,15-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
CID 159717494
N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]-N-phenyl-4-pyridin-3-ylaniline
CID 121419360
6,6,14,14-tetramethyl-N,N-diphenyl-9-pyren-2-yltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-3-amine
CID 146699452
5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine
CID 146481876
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline
CID 123165581
N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]-N-(4-pyridin-3-ylphenyl)naphthalen-2-amine
CID 121419359
N-(2,6-dipyridin-2-yl-4-pyridinyl)-N-phenyl-2,6-dipyridin-2-ylpyridin-4-amine
CID 102395137
3-N,3-N,10-N,10-N-tetraphenyl-15-(3-pyridin-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine
CID 90125561
N-(9,9-dimethylfluoren-2-yl)-15,15-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
CID 90306203
9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 118500358
12,12,22,22-tetramethyl-N,N-diphenyl-16-[12,12,22,22-tetramethyl-15-(N-phenylanilino)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-6-amine
CID 59147802
9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 123205402

Frequently Asked Questions

What is the IUPAC name of 15,15-dimethyl-N-phenyl-10-pyridin-2-yl-N-(4-triphenylsilylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine?
The IUPAC name of 15,15-dimethyl-N-phenyl-10-pyridin-2-yl-N-(4-triphenylsilylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine (CID 90306254) is 15,15-dimethyl-N-phenyl-10-pyridin-2-yl-N-(4-triphenylsilylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine.
What is the SMILES notation for 15,15-dimethyl-N-phenyl-10-pyridin-2-yl-N-(4-triphenylsilylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine?
The canonical SMILES for 15,15-dimethyl-N-phenyl-10-pyridin-2-yl-N-(4-triphenylsilylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine is CC1(C)c2cc(-c3ccccn3)cc3ccc4cc(N(c5ccccc5)c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc1c4c23.
What is the InChIKey of 15,15-dimethyl-N-phenyl-10-pyridin-2-yl-N-(4-triphenylsilylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine?
The InChIKey is LOAIIJNSLMXBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N2Si/c1-52(2)47-35-39(49-25-15-16-32-53-49)33-37-26-27-38-34-42(36-48(52)51(38)50(37)47)54(40-17-7-3-8-18-40)41-28-30-46(31-29-41)55(43-19-9-4-10-20-43,44-21-11-5-12-22-44)45-23-13-6-14-24-45/h3-36H,1-2H3.
What are the key properties of 15,15-dimethyl-N-phenyl-10-pyridin-2-yl-N-(4-triphenylsilylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine?
15,15-dimethyl-N-phenyl-10-pyridin-2-yl-N-(4-triphenylsilylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine has a molecular weight of 720.99 g/mol, XLogP of 10.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-dimethyl-N-phenyl-10-pyridin-2-yl-N-(4-triphenylsilylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine is sourced from PubChem (CID 90306254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).